data_2lrk_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 2lrk _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 ' D' D ' 301' ' ' MET . . . . . 0.503 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.867 0.841 . . . . 0.0 108.947 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.78 143.04 36.71 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.34 38.67 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.011 -1.056 . . . . 0.0 109.582 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.21 28.52 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.29 18.99 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.061 -1.025 . . . . 0.0 108.414 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.35 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.73 136.62 37.01 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 122.161 0.982 . . . . 0.0 110.101 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.5 mt -84.9 114.27 24.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.91 -4.22 19.39 Favored 'General case' 0 C--N 1.265 -3.105 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.912 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.81 85.78 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.637 -1.914 . . . . 0.0 110.645 178.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.43 -47.72 12.68 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 124.808 3.672 . . . . 0.0 114.17 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -102.14 27.61 6.51 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 116.049 -2.26 . . . . 0.0 108.783 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.49 -141.0 47.62 Favored Glycine 0 N--CA 1.496 2.689 0 C-N-CA 117.709 -2.186 . . . . 0.0 109.599 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.4 tp -89.76 64.77 6.59 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.975 -1.309 . . . . 0.0 109.531 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.622 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.7 OUTLIER -53.79 177.94 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.144 -178.063 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.559 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.0 OUTLIER -45.77 -65.95 0.47 Allowed 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -176.575 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.559 ' N ' ' OG1' ' D' ' 316' ' ' THR . 5.4 tmm_? -56.47 -49.95 90.52 Favored Pre-proline 0 N--CA 1.492 1.658 0 C-N-CA 120.163 -0.615 . . . . 0.0 112.522 -177.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.1 -32.19 64.22 Favored 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 120.577 0.851 . . . . 0.0 111.497 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.84 86.85 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.529 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -71.0 -39.65 72.3 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.94 -39.44 94.16 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.004 -1.478 . . . . 0.0 109.478 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.552 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.67 -45.3 93.43 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 122.638 1.208 . . . . 0.0 108.722 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . 0.607 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 53.2 t -62.62 -42.27 95.34 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.216 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.676 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.9 -40.27 96.1 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.708 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.455 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.81 -39.64 79.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.436 -0.79 . . . . 0.0 109.59 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.06 91.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.573 -1.329 . . . . 0.0 109.454 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . 0.607 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.0 mttp -61.24 -16.18 42.55 Favored 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.91 -10.61 86.09 Favored Glycine 0 N--CA 1.48 1.585 0 O-C-N 119.941 -1.725 . . . . 0.0 109.252 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.3 32.87 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.229 -1.747 . . . . 0.0 109.978 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.52 -30.11 59.69 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.236 -0.915 . . . . 0.0 112.381 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.78 158.56 10.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 119.833 -1.792 . . . . 0.0 112.837 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.25 35.4 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 102.774 -3.047 . . . . 0.0 102.774 171.289 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.78 136.59 60.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-O 122.271 1.034 . . . . 0.0 109.302 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.413 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.8 m -124.94 143.18 51.01 Favored 'General case' 0 C--N 1.286 -2.173 0 CA-C-O 123.108 1.432 . . . . 0.0 109.997 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.413 ' N ' HG23 ' D' ' 334' ' ' THR . 86.4 t -108.02 129.94 61.36 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.719 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.5 m -127.45 119.54 26.34 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.85 -1.157 . . . . 0.0 108.917 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.53 122.62 39.32 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.881 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.75 38.92 24.27 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.865 -1.147 . . . . 0.0 112.797 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.72 10.93 83.59 Favored Glycine 0 N--CA 1.502 3.038 0 O-C-N 119.896 -1.752 . . . . 0.0 112.585 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.84 136.28 54.54 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 69.1 m -124.81 158.59 33.01 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.767 1.746 . . . . 0.0 112.393 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.39 31.35 Favored 'General case' 0 C--N 1.278 -2.533 0 CA-C-N 112.492 -2.14 . . . . 0.0 108.598 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.666 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.67 135.96 48.71 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 173.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.98 -6.7 47.13 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.685 -1.259 . . . . 0.0 110.716 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.666 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.59 13.03 31.51 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.639 -1.288 . . . . 0.0 109.383 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.6 t -133.1 104.14 6.37 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 122.159 0.98 . . . . 0.0 110.14 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.6 tp -57.27 -37.9 73.07 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.95 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -58.82 -51.43 70.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.594 -1.316 . . . . 0.0 113.079 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.45 70.61 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 119.582 -1.949 . . . . 0.0 109.172 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.8 -33.74 75.83 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.932 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -67.66 -10.42 52.09 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.594 -0.691 . . . . 0.0 109.979 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 41.7 p -89.79 -7.73 53.74 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 118.157 -1.417 . . . . 0.0 110.937 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.9 mt -93.37 159.27 15.33 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.222 -0.924 . . . . 0.0 110.233 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.81 2.96 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 106.965 -2.454 . . . . 0.0 106.965 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 90.5 mt -119.55 47.32 1.73 Allowed 'General case' 0 C--N 1.308 -1.209 0 O-C-N 120.661 -1.494 . . . . 0.0 107.402 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 62.0 p -81.43 172.54 13.41 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.184 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.68 140.95 57.29 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.829 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.19 78.99 Favored Glycine 0 N--CA 1.502 3.039 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.329 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.5 135.96 34.02 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.904 -1.351 . . . . 0.0 110.641 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.5 123.64 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.14 160.11 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 117.365 -1.734 . . . . 0.0 110.716 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.87 128.39 54.87 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.544 -1.347 . . . . 0.0 107.568 175.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.86 121.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.404 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.26 50.72 Favored 'General case' 0 C--N 1.286 -2.185 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.42 47.17 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 118.531 -1.268 . . . . 0.0 109.717 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.503 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.76 6.41 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.012 178.2 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.34 40.17 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 118.0 -2.048 . . . . 0.0 110.356 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.66 82.66 Favored 'General case' 0 C--N 1.275 -2.658 0 CA-C-N 114.41 -0.895 . . . . 0.0 112.232 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -113.99 36.79 3.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 118.966 -2.334 . . . . 0.0 108.566 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.4 -33.56 65.89 Favored 'General case' 0 N--CA 1.522 3.126 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 -174.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.467 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.7 27.38 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 119.606 -1.934 . . . . 0.0 110.982 -176.573 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.764 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.46 -40.69 97.8 Favored 'General case' 0 C--N 1.284 -2.245 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.51 77.58 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.466 -1.693 . . . . 0.0 110.062 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.8 -42.24 88.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 CA-C-O 122.2 1.0 . . . . 0.0 109.264 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.91 -47.87 76.68 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-O 122.029 0.919 . . . . 0.0 108.725 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.764 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.82 -38.3 76.51 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.675 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' D' ' 322' ' ' PHE . 79.9 mt -75.69 -28.55 58.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.276 -1.515 . . . . 0.0 110.86 -174.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.55 -39.49 70.32 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.378 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.14 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.455 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.22 -45.17 84.1 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 118.973 -1.091 . . . . 0.0 110.596 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.39 -37.37 85.51 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.92 -1.113 . . . . 0.0 111.517 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.71 61.57 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.087 -1.008 . . . . 0.0 110.291 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.98 -32.25 45.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.456 -0.777 . . . . 0.0 111.336 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.08 125.48 12.31 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 124.275 1.988 . . . . 0.0 112.886 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.912 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 96.6 mt-10 . . . . . 0 C--N 1.277 -2.579 0 CA-C-N 111.165 -2.743 . . . . 0.0 110.121 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.1 mt . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -64.65 -46.68 81.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.851 0.358 . . . . 0.0 110.276 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.78 -35.1 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.241 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.71 -42.24 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.284 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.2 t -60.21 -44.46 95.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.907 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -58.47 -41.2 84.69 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.77 98.33 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.348 -1.101 . . . . 0.0 110.348 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.3 mt -62.92 -42.57 99.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.185 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.3 -44.4 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.722 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.11 -44.06 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.957 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.3 -45.82 92.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.802 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -60.43 -44.81 95.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.027 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.49 -41.95 99.11 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -63.7 -43.7 95.82 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -48.72 79.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.882 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.73 -46.35 90.76 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.0 t -54.46 -44.93 72.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.23 -43.01 99.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.741 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.46 -49.78 76.48 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -59.14 -43.37 92.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.553 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.72 88.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.815 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.08 88.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.693 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.41 -46.2 91.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.468 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.81 -43.03 72.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -60.14 -41.4 92.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.794 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.08 92.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.657 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.81 -29.7 69.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.119 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.48 -4.43 57.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.377 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.38 17.73 65.94 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -99.79 78.43 2.13 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.744 0.307 . . . . 0.0 110.241 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.38 -34.23 77.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.71 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.9 76.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.078 0.466 . . . . 0.0 110.782 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.11 79.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.357 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.24 84.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -61.6 -42.2 98.52 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.69 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.8 mtt -65.56 -41.93 92.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.457 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 72.5 mtm -63.63 -41.66 98.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.613 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.84 -45.56 93.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.554 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.57 -39.59 94.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.205 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.7 t -61.4 -46.21 91.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.55 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.15 -42.51 95.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.306 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.38 -44.54 95.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.196 0.522 . . . . 0.0 110.582 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.52 98.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.206 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.97 -40.15 94.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.665 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.35 -41.84 97.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.278 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.54 -40.05 92.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.182 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.55 -45.35 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.439 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.25 -39.57 87.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.395 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.3 mt -60.33 -45.16 94.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.328 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.82 -43.53 96.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.012 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -59.12 -44.37 92.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.278 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -55.71 -43.59 76.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.047 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.38 -41.78 97.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.923 0.392 . . . . 0.0 110.572 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.0 mt -65.99 -38.21 87.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.85 -39.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.855 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.47 -179.511 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.904 0.383 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.7 p -131.4 163.83 27.03 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.7 mt -57.76 -43.17 85.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.614 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.17 -46.62 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.874 0.369 . . . . 0.0 110.61 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.46 -41.17 98.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.044 0.45 . . . . 0.0 110.881 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.49 -47.0 92.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.216 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.93 -46.28 88.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.836 0.35 . . . . 0.0 110.314 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.7 95.44 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.628 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.49 -40.94 98.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.136 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.5 tp -57.65 -45.81 85.02 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.336 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -67.37 -46.58 72.9 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.747 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.56 -45.51 93.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.849 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -62.32 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.164 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.1 p -64.24 -46.66 82.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.091 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.565 ' HG ' ' H ' ' A' ' 85' ' ' MET . 79.7 p -61.91 -49.67 75.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.565 ' H ' ' HG ' ' A' ' 84' ' ' SER . 8.5 tpp -57.74 -47.85 81.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.499 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.31 -44.63 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.107 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.98 79.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.86 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -58.46 -45.2 89.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.148 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -60.53 -44.86 95.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.071 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.2 mt -64.24 -42.47 96.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.114 0.483 . . . . 0.0 109.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.4 mt -60.36 -42.1 89.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.294 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.92 -45.39 86.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.016 0.436 . . . . 0.0 109.895 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.1 -43.52 98.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.621 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.578 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 85.0 mt -60.05 -43.55 95.3 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.37 -43.11 96.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.32 -38.94 91.37 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.3 mt -62.07 -41.36 98.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.904 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.2 m80 -60.34 -38.85 85.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.53 -39.28 87.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -64.07 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.219 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.0 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.396 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 53.5 mt . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.517 0.198 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.54 -46.86 81.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.944 0.402 . . . . 0.0 110.288 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -67.29 -35.76 80.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.25 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.2 -42.29 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.305 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.35 -44.21 95.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.846 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -58.83 -40.86 85.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.61 98.04 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.8 mt -63.0 -42.71 99.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.704 0.288 . . . . 0.0 110.309 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.419 HD13 HG22 ' B' ' 12' ' ' ILE . 95.2 mt -63.32 -44.3 99.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.703 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.14 -44.13 99.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.938 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.23 -45.99 92.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.844 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -60.36 -44.83 95.2 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.104 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -42.09 99.46 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.136 -1.185 . . . . 0.0 110.136 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -63.53 -43.77 96.16 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -49.34 77.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.839 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.37 -46.08 91.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -54.73 -44.9 73.94 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.28 -42.77 99.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.747 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.63 76.95 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.07 -43.4 91.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.692 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.13 89.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.723 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.25 -42.81 87.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.671 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.79 -46.36 89.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.297 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.81 -43.05 72.59 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -60.01 -41.47 92.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.899 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.13 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.705 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.86 -29.82 69.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.053 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -82.48 -4.57 57.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.392 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.78 17.31 65.99 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.38 78.6 2.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.845 0.355 . . . . 0.0 110.307 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.63 -34.16 77.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.586 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.14 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.1 0.476 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.1 79.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.349 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.22 85.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.523 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.77 -42.56 99.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.54 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.58 98.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.664 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.36 -41.81 93.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 73.0 mtm -63.85 -41.57 97.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.564 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -61.92 -45.23 94.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.426 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.94 -39.66 95.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.278 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -61.23 -46.27 91.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.528 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.22 -42.39 95.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.26 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.44 -44.79 95.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.316 0.579 . . . . 0.0 110.623 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.93 98.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.106 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.36 -40.33 93.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.75 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.26 -41.95 97.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.334 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -65.41 -40.3 93.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.114 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.54 76.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.478 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.36 -39.39 87.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.262 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.28 -45.01 94.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.312 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.45 -42.81 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.04 0.448 . . . . 0.0 110.095 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.413 HE21 HD23 ' B' ' 74' ' ' LEU . 68.0 tp60 -59.54 -44.22 93.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.326 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -55.67 -44.07 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.953 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.99 -42.08 97.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.868 0.366 . . . . 0.0 110.529 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.71 -38.37 89.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.672 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.72 -39.17 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.73 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.497 -179.589 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.845 0.355 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.9 p -130.51 165.24 23.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.559 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 37.9 mt -59.6 -43.58 93.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.528 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.8 -46.18 96.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.591 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.413 HD23 HE21 ' B' ' 55' ' ' GLN . 89.5 mt -63.75 -40.67 97.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.61 -46.99 92.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.28 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.52 -46.05 89.97 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.346 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.7 96.0 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.814 0.34 . . . . 0.0 110.378 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -63.45 -41.03 98.64 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.265 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.77 -45.41 86.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.403 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -67.58 -46.5 72.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.703 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.88 -45.66 92.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.86 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.96 -43.06 99.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.263 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.8 p -64.33 -46.59 82.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.224 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.564 ' HG ' ' H ' ' B' ' 85' ' ' MET . 80.5 p -62.01 -49.57 75.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.661 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.564 ' H ' ' HG ' ' B' ' 84' ' ' SER . 8.7 tpp -57.74 -47.81 81.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.466 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.53 -44.39 96.46 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.091 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.66 -49.13 78.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.837 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 65.0 ttt-85 -58.3 -45.32 88.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.273 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.54 -44.84 95.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.15 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.26 -42.24 96.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.025 0.44 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.45 -42.27 90.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.233 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.58 -45.81 84.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.134 0.493 . . . . 0.0 109.876 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.97 -43.47 98.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.439 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 84.4 mt -59.84 -43.69 94.47 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.418 HG22 HD11 ' B' ' 95' ' ' ILE . 89.8 mt -61.36 -43.0 95.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.511 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -62.29 -38.81 90.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.787 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.5 -41.12 98.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.801 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.9 m80 -60.27 -38.56 83.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.84 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.87 -39.78 90.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.107 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -63.75 -37.42 87.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.198 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.343 179.635 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 53.0 mt . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.605 0.24 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.69 -47.02 79.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.319 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -67.28 -35.11 78.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.297 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.71 -42.33 94.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.337 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.19 -44.75 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.003 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -58.17 -41.14 83.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.13 -41.96 98.23 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.56 -42.94 99.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.93 0.395 . . . . 0.0 110.347 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.01 -44.29 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.733 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.1 -44.07 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.071 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.41 -45.94 92.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.768 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.1 -44.77 94.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.113 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.44 -42.42 99.04 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -63.27 -43.97 96.43 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.37 76.86 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.23 -46.3 90.26 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.0 t -54.66 -45.02 73.78 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.17 -42.63 99.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.723 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -49.88 75.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.02 -43.61 91.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.515 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.78 88.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.718 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.95 89.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.622 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.28 -46.68 89.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.394 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.69 -43.07 72.16 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.13 -41.11 91.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.849 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.68 92.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.813 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.37 -29.88 70.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.046 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.23 -4.07 56.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.18 17.42 67.03 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -99.45 78.94 2.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.741 0.305 . . . . 0.0 110.257 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -64.85 -34.16 77.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.538 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.06 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.035 0.445 . . . . 0.0 110.706 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.51 -34.84 79.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.417 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.15 84.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.471 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.76 -42.34 98.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.623 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.52 98.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.767 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.3 mtt -65.41 -41.77 93.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.566 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 72.6 mtm -63.94 -41.46 97.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.608 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -62.09 -45.72 92.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.362 . . . . 0.0 110.407 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.34 -39.55 93.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.342 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 42.7 t -61.42 -46.25 90.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -60.27 -42.18 94.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.3 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -60.67 -44.78 96.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.316 0.579 . . . . 0.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.19 98.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.342 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.3 -40.13 93.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.723 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.74 -41.74 98.05 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.337 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.48 -39.91 92.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.978 0.418 . . . . 0.0 110.008 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.72 -45.3 75.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.45 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.56 -38.9 86.05 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.392 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.94 -44.67 96.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.287 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.35 -43.22 94.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.015 0.436 . . . . 0.0 110.0 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.409 HE21 HD23 ' C' ' 74' ' ' LEU . 67.6 tp60 -59.21 -44.91 92.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.292 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.7 m -54.91 -44.02 73.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.144 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.28 -41.76 97.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.498 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.87 -38.46 88.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.795 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.831 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 20.8 p . . . . . 0 C--O 1.226 -0.137 0 CA-C-O 121.109 0.481 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 19.8 mt -62.05 -42.39 99.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.708 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.33 -46.47 93.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 130.135 3.374 . . . . 0.0 110.626 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.409 HD23 HE21 ' C' ' 55' ' ' GLN . 90.7 mt -65.85 -40.14 91.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 177.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.17 -47.57 91.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.226 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.26 -46.18 89.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.313 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.63 95.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.922 0.391 . . . . 0.0 110.419 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -63.71 -41.03 98.16 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.211 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 45.6 tp -57.49 -45.59 84.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.465 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -67.77 -46.39 72.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.709 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.87 -45.53 93.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.814 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -62.0 -43.2 99.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.384 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.5 p -64.28 -46.84 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.165 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.573 ' HG ' ' H ' ' C' ' 85' ' ' MET . 78.3 p -61.72 -49.76 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.607 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 85' ' ' MET . . . . . 0.573 ' H ' ' HG ' ' C' ' 84' ' ' SER . 8.5 tpp -57.53 -47.97 80.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.737 0.304 . . . . 0.0 110.464 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.41 -44.38 96.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.163 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.16 78.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.926 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -58.53 -45.28 89.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.21 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.37 -44.92 95.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.877 0.37 . . . . 0.0 110.126 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.18 -42.47 96.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.21 0.529 . . . . 0.0 110.074 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . 0.403 HD11 HG22 ' C' ' 91' ' ' ILE . 78.8 mt -60.41 -42.32 90.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.394 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.1 m -57.47 -45.7 84.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.067 0.46 . . . . 0.0 110.008 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.07 -43.54 98.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.487 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.565 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 84.7 mt -59.66 -43.54 93.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.347 0.594 . . . . 0.0 109.515 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.411 HG22 HD11 ' C' ' 95' ' ' ILE . 89.1 mt -61.37 -42.92 95.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.598 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -62.36 -38.92 91.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.724 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.36 -41.35 98.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.846 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.1 m80 -60.07 -38.65 83.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.755 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.02 -39.26 89.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.128 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -64.17 -37.1 86.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.254 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.295 179.653 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.504 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 121.89 0.852 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.07 36.65 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.33 38.58 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.035 -1.041 . . . . 0.0 109.569 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.2 149.14 28.42 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.32 18.92 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.057 -1.027 . . . . 0.0 108.401 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.85 144.32 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.7 136.65 36.94 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.181 0.991 . . . . 0.0 110.16 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.4 mt -84.99 114.37 25.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.1 p -106.9 -4.35 19.25 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.905 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.86 85.86 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 119.716 -1.865 . . . . 0.0 110.57 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -45.47 -47.76 12.72 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 124.75 3.633 . . . . 0.0 114.155 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -102.13 27.61 6.5 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 116.009 -2.276 . . . . 0.0 108.799 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.8 -141.92 48.21 Favored Glycine 0 N--CA 1.496 2.693 0 C-N-CA 117.698 -2.191 . . . . 0.0 109.604 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.7 tp -90.07 70.82 7.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.883 -1.363 . . . . 0.0 109.475 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.622 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.1 p80 -62.03 176.47 0.56 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 117.906 -1.518 . . . . 0.0 112.094 -178.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.1 p -42.7 -65.05 0.52 Allowed 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -176.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.536 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.1 tmt_? -56.46 -51.58 80.0 Favored Pre-proline 0 N--CA 1.493 1.691 0 C-N-CA 120.181 -0.608 . . . . 0.0 112.446 -177.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.48 -32.2 60.04 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 120.693 0.929 . . . . 0.0 111.513 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.8 86.73 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.221 -0.924 . . . . 0.0 109.54 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.97 -39.69 72.36 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -63.89 -39.43 94.16 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 118.015 -1.474 . . . . 0.0 109.51 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.55 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.68 -45.31 93.37 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 122.606 1.193 . . . . 0.0 108.681 -177.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.72 -42.29 95.58 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.6 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.77 -40.33 96.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.789 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.455 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.72 80.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 109.62 177.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.0 91.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.561 -1.337 . . . . 0.0 109.456 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.33 -16.19 43.53 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.282 -0.887 . . . . 0.0 113.339 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.95 -10.59 86.13 Favored Glycine 0 N--CA 1.479 1.525 0 O-C-N 119.873 -1.767 . . . . 0.0 109.271 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.405 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.46 143.37 32.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.227 -1.749 . . . . 0.0 110.009 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.7 p -75.66 -29.99 59.28 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.243 -0.911 . . . . 0.0 112.335 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.84 158.63 10.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.841 -1.787 . . . . 0.0 112.777 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.04 130.28 35.35 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 102.79 -3.041 . . . . 0.0 102.79 171.305 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.76 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.413 0 CA-C-O 122.222 1.01 . . . . 0.0 109.307 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.418 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.5 m -124.88 143.25 50.94 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 123.06 1.41 . . . . 0.0 109.952 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.418 ' N ' HG23 ' D' ' 334' ' ' THR . 85.7 t -108.2 129.9 61.69 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.721 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 173.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.6 m -127.41 119.52 26.35 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.846 -1.159 . . . . 0.0 108.948 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.0 t -122.54 122.62 39.33 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.578 -0.701 . . . . 0.0 109.93 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.77 38.95 24.46 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.94 -1.1 . . . . 0.0 112.719 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.67 11.0 83.56 Favored Glycine 0 N--CA 1.502 3.093 0 O-C-N 119.913 -1.742 . . . . 0.0 112.521 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 67.9 m -124.8 158.53 33.14 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-O 123.833 1.777 . . . . 0.0 112.449 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.42 31.47 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 112.438 -2.164 . . . . 0.0 108.55 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.664 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.68 136.05 48.77 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 173.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.03 -6.81 48.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.715 -1.24 . . . . 0.0 110.68 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.664 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.6 mttt -97.4 12.88 31.65 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.633 -1.292 . . . . 0.0 109.418 -177.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.4 t -133.06 104.2 6.41 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.202 1.001 . . . . 0.0 110.092 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.9 tp -57.27 -37.87 73.02 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.968 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.93 -51.33 70.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.614 -1.304 . . . . 0.0 113.064 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.06 -32.43 70.54 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 119.65 -1.906 . . . . 0.0 109.217 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.83 -33.73 75.85 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.941 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -67.65 -10.39 51.78 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.678 -0.639 . . . . 0.0 109.988 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.8 p -89.76 -7.75 53.75 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 118.141 -1.423 . . . . 0.0 110.95 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.36 159.29 15.32 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.213 -0.93 . . . . 0.0 110.175 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 106.937 -2.465 . . . . 0.0 106.937 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.61 47.3 1.74 Allowed 'General case' 0 C--N 1.308 -1.203 0 O-C-N 120.761 -1.435 . . . . 0.0 107.378 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 64.7 p -81.38 172.59 13.37 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.227 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.75 140.9 57.4 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.872 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.13 78.96 Favored Glycine 0 N--CA 1.502 3.035 0 C-N-CA 120.029 -1.081 . . . . 0.0 111.317 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.39 135.93 34.08 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 120.904 -1.351 . . . . 0.0 110.651 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.54 123.68 48.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.13 160.05 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 C-N-CA 117.411 -1.716 . . . . 0.0 110.63 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.0 m -108.86 128.38 54.85 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.482 -1.386 . . . . 0.0 107.643 175.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.9 121.4 60.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.56 147.21 50.69 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -179.509 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.7 153.49 47.26 Favored 'General case' 0 C--N 1.292 -1.924 0 C-N-CA 118.496 -1.282 . . . . 0.0 109.762 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.504 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.26 110.78 6.4 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 118.522 -1.271 . . . . 0.0 107.989 178.211 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.28 40.15 Favored Glycine 0 C--N 1.297 -1.62 0 C-N-CA 117.948 -2.072 . . . . 0.0 110.331 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.69 82.92 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-N 114.399 -0.9 . . . . 0.0 112.21 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.96 36.75 3.54 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 115.884 -2.326 . . . . 0.0 108.576 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.32 -33.56 65.72 Favored 'General case' 0 N--CA 1.52 3.067 0 N-CA-C 116.885 2.18 . . . . 0.0 116.885 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.479 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.61 27.31 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 119.604 -1.935 . . . . 0.0 110.967 -176.56 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.764 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.71 97.76 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.25 -49.41 77.95 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 117.415 -1.714 . . . . 0.0 110.043 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.82 -42.23 88.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 CA-C-O 122.273 1.035 . . . . 0.0 109.345 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.89 -47.89 76.61 Favored 'General case' 0 C--N 1.287 -2.139 0 CA-C-O 122.005 0.907 . . . . 0.0 108.749 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.764 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.8 m-70 -69.68 -38.43 77.03 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.718 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.7 mt -75.53 -28.67 59.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.459 -1.401 . . . . 0.0 110.896 -174.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.46 70.98 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.34 62.63 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.455 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.18 -45.33 83.79 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.554 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.31 -37.32 85.13 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.88 -1.137 . . . . 0.0 111.563 -177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.85 61.65 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.025 -1.047 . . . . 0.0 110.246 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.93 -32.27 45.49 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.5 -0.75 . . . . 0.0 111.341 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.13 125.46 12.34 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.305 2.002 . . . . 0.0 112.864 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.905 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 33.8 tp10 . . . . . 0 C--N 1.277 -2.553 0 CA-C-N 111.074 -2.784 . . . . 0.0 110.164 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.11 -46.45 80.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.913 0.387 . . . . 0.0 110.248 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -68.48 -35.74 77.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.291 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.02 -42.52 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.414 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.57 -44.33 96.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.938 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.5 -41.15 89.22 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.25 -42.16 96.41 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.02 -42.5 99.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.223 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.428 HD11 HG21 ' A' ' 12' ' ' ILE . 92.8 mt -63.02 -43.79 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.708 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.14 -44.24 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.99 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -60.57 -46.4 90.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.799 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -60.8 -44.29 97.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.985 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.22 99.05 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.53 -42.92 98.4 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.46 -49.04 77.55 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -61.0 -46.28 91.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 m -54.73 -44.47 73.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.96 -42.23 99.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.73 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.83 76.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.56 -42.07 91.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.621 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.29 94.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.799 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -42.89 83.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.663 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.18 -45.34 95.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.496 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -56.65 -41.72 77.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.0 -43.82 98.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.838 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.81 93.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.718 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -60.43 -30.8 69.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.145 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -79.99 -1.74 40.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.431 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.14 14.24 75.15 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.79 80.36 3.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.764 0.316 . . . . 0.0 110.252 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -64.84 -35.03 79.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.651 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -48.66 79.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.994 0.426 . . . . 0.0 110.757 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.32 80.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.354 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.84 81.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.558 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -61.44 -42.76 99.25 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.599 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.63 97.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.794 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.01 -42.02 94.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.454 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.2 mtm -64.33 -39.92 94.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.573 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.9 -45.25 94.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.932 0.396 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -62.38 -39.45 93.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.18 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -61.39 -45.16 95.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.533 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.32 -42.06 94.83 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.327 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.62 -43.77 97.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.191 0.52 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.16 97.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.282 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.05 -40.47 94.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.661 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -61.3 -41.76 97.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.307 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -65.03 -40.72 95.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.206 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.12 -44.8 78.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.45 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.81 -39.5 89.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.38 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.03 -44.49 97.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.354 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.43 -43.68 94.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.051 0.453 . . . . 0.0 110.015 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.512 HE22 ' CB ' ' A' ' 77' ' ' ALA . 5.4 tp-100 -59.77 -43.69 94.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.282 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -55.42 -44.14 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.076 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.43 -41.18 93.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.499 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.18 -39.35 86.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.667 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.431 HG21 HD11 ' A' ' 59' ' ' ILE . 95.3 mt -66.43 -40.03 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 -179.214 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 71' ' ' SER . 32.7 m . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.978 0.418 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 70' ' ' VAL . 90.8 p -135.35 170.55 15.76 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.12 -43.38 87.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.597 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.2 t -61.93 -46.3 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.866 0.365 . . . . 0.0 110.609 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.512 ' CD2' ' OE1' ' A' ' 55' ' ' GLN . 30.3 mt -61.58 -38.8 88.86 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.2 t -59.29 -47.37 90.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.186 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -59.72 -45.53 91.89 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.329 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.512 ' CB ' HE22 ' A' ' 55' ' ' GLN . . . -61.9 -44.17 97.33 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.648 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.7 -37.96 86.1 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.141 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.2 tp -57.73 -47.31 82.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.379 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.427 ' O ' ' OG1' ' A' ' 83' ' ' THR . 74.8 m80 -67.36 -47.39 70.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.34 -45.37 94.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.861 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.4 mmm -61.55 -42.84 99.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.196 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 20.8 p -63.01 -46.7 86.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.112 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -61.97 -48.69 79.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.49 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.75 -48.66 78.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.522 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.13 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.07 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.0 83.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.876 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -58.01 -46.07 85.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.114 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.5 -44.5 95.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.057 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.75 -43.13 94.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.211 0.529 . . . . 0.0 109.81 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.82 -42.37 92.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.295 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.2 m -58.04 -45.59 86.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.461 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 98.6 mt-10 -63.33 -42.67 98.99 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.92 -42.57 94.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.85 -43.12 94.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.472 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -61.51 -38.5 87.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.38 -41.57 98.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.928 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -59.09 -39.99 83.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.761 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.34 -40.09 89.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.155 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.3 -36.14 83.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.25 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 43.9 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.372 179.683 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 120.528 0.204 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.32 -46.64 79.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.93 -35.9 79.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.239 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 79.9 t -64.08 -42.72 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 98.2 t -60.49 -43.96 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.889 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.1 mtp -59.79 -41.07 90.36 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -42.24 96.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.169 -1.173 . . . . 0.0 110.169 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.07 -42.4 99.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.864 0.364 . . . . 0.0 110.388 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.14 -43.83 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.701 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.11 -43.92 99.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.935 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -61.11 -46.1 91.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.887 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.8 t -60.75 -44.45 96.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.104 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.08 -43.44 98.77 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.146 -1.181 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.97 -43.05 99.86 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.61 -49.04 77.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.915 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 -60.75 -46.38 90.67 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -54.63 -44.57 73.29 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.92 -42.28 99.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.66 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.74 76.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.54 -41.84 90.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.668 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.02 95.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.746 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.12 85.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.636 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.1 -45.48 94.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.33 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.56 -41.89 77.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.83 -43.63 98.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.807 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.06 95.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.743 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.16 -30.64 69.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.075 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.03 -1.91 41.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.413 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.29 13.92 75.51 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.53 80.18 3.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.797 0.332 . . . . 0.0 110.34 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -64.74 -34.95 79.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.649 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.99 -49.25 76.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.077 0.465 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.14 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.415 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.17 80.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.524 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -61.08 -43.25 99.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.555 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.86 98.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.7 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.89 -42.14 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.514 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 73.2 mtm -64.1 -40.16 95.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.516 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.73 -45.3 94.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.464 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.23 -39.68 93.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.255 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.3 m -61.2 -45.31 95.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.483 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -60.24 -41.97 94.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.295 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -60.37 -43.99 96.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.293 0.568 . . . . 0.0 110.664 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.3 97.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.185 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.01 -40.47 94.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.673 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.42 -41.59 97.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.322 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -65.13 -40.87 95.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.079 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.08 -44.81 79.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.409 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.96 -39.44 89.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.221 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.98 -44.48 97.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.391 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.6 -43.63 93.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.035 0.445 . . . . 0.0 110.038 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.515 ' OE1' ' CD2' ' B' ' 74' ' ' LEU . 5.4 tp-100 -59.65 -43.51 93.86 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.213 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -55.83 -44.02 77.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.971 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.56 -40.76 92.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.844 0.354 . . . . 0.0 110.536 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -67.63 -38.98 84.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.416 HD11 HG21 ' B' ' 59' ' ' ILE . 94.9 mt -66.86 -40.17 85.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.728 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.577 -179.395 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.462 0.149 0 CA-C-O 120.854 0.359 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 99.7 p -135.24 171.23 14.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.546 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 tt -59.87 -43.26 94.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.583 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 47.6 t -61.25 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.58 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.515 ' CD2' ' OE1' ' B' ' 55' ' ' GLN . 32.5 mt -61.58 -38.67 88.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.08 0.467 . . . . 0.0 110.936 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.2 -47.13 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.305 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.44 -44.76 95.48 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.257 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.497 ' CB ' HE22 ' B' ' 55' ' ' GLN . . . -62.22 -44.5 96.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.915 0.388 . . . . 0.0 110.414 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -61.47 -37.98 85.57 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.231 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 36.8 tp -57.79 -47.01 83.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' B' ' 83' ' ' THR . 75.2 m80 -67.58 -47.25 70.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.721 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.52 -45.25 94.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.49 -42.88 99.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.211 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 21.1 p -63.31 -45.88 89.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.178 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.56 -48.55 78.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 67.0 ttp -58.38 -47.81 82.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.437 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.97 -43.5 98.71 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.13 82.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.907 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -58.04 -45.91 86.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.246 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.62 -44.38 96.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.149 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.72 -42.64 95.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.092 0.472 . . . . 0.0 110.01 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.45 -42.53 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.175 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 83.3 m -57.82 -45.52 86.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.049 0.452 . . . . 0.0 109.852 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . 0.452 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.3 mt-10 -63.42 -42.59 98.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.461 ' CD1' ' OE1' ' A' ' 93' ' ' GLU . 76.9 mt -59.95 -42.69 94.62 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.8 -43.16 94.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.488 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.37 -38.5 87.22 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 mt -62.44 -41.35 98.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.82 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -59.3 -40.15 85.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.782 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.18 -40.28 89.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.151 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.24 -36.03 82.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.232 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 46.1 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 179.591 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.661 0.267 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.04 -46.67 80.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 0.0 110.333 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -68.01 -35.63 78.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.303 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.24 -42.55 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.353 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -60.67 -44.09 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.004 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -59.61 -41.2 89.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -42.19 96.28 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.87 -42.62 99.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.379 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.97 -44.01 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.697 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.77 -43.93 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.09 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -61.12 -46.31 91.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.757 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.2 t -60.64 -44.45 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.118 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -43.26 98.84 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -49.77 75.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -60.36 -46.49 89.76 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -54.63 -44.6 73.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.65 -42.37 99.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.739 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.9 76.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.31 -41.87 90.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.522 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.4 96.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.676 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.94 83.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.609 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.14 -45.76 93.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.407 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -56.41 -41.76 76.85 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.97 -43.74 98.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.904 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.04 93.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.825 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -60.47 -30.57 69.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.08 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -80.07 -1.9 41.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.431 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.17 14.35 74.78 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -97.03 80.72 2.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.834 0.35 . . . . 0.0 110.266 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -65.25 -34.96 79.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.515 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.92 77.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.677 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.06 79.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.405 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -47.56 82.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.476 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -61.68 -43.13 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.647 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.99 99.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.78 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.06 -42.35 94.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 72.6 mtm -63.82 -40.2 96.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.67 -45.52 93.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.914 0.388 . . . . 0.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -62.11 -39.69 93.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.333 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 68.7 m -61.03 -45.22 95.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -60.37 -42.0 94.91 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.373 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.49 -43.4 97.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.332 0.587 . . . . 0.0 110.517 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.39 96.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.354 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.8 -40.73 95.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.734 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.19 -41.68 97.25 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.317 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -65.22 -40.66 94.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.026 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.23 -44.53 79.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.433 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.34 -39.03 89.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.321 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 42.3 mt -61.42 -44.65 96.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.12 -43.75 95.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.056 0.455 . . . . 0.0 109.97 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.544 ' OE1' ' CD2' ' C' ' 74' ' ' LEU . 5.4 tp-100 -59.76 -43.42 94.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.276 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -55.97 -43.92 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.118 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.3 -41.32 93.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.544 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.11 -39.23 86.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.75 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.415 HG21 HD11 ' C' ' 59' ' ' ILE . 95.5 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 99.7 p . . . . . 0 C--O 1.226 -0.163 0 CA-C-O 121.095 0.474 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.57 -43.55 97.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.697 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.17 -45.96 97.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 130.097 3.359 . . . . 0.0 110.61 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.544 ' CD2' ' OE1' ' C' ' 55' ' ' GLN . 37.1 mt -63.8 -38.24 90.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.031 0.443 . . . . 0.0 110.981 177.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 63.2 t -59.65 -47.91 89.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.16 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.18 -44.72 94.84 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.301 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . 0.508 ' CB ' HE22 ' C' ' 55' ' ' GLN . . . -62.52 -44.18 96.98 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.881 0.372 . . . . 0.0 110.431 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -61.7 -37.76 85.32 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.232 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.07 -47.27 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.435 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.439 ' O ' ' OG1' ' C' ' 83' ' ' THR . 74.8 m80 -67.23 -47.35 71.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.733 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.43 -45.1 95.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.831 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.81 -42.27 98.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.402 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 21.0 p -63.69 -46.02 87.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.209 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -62.57 -48.48 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.604 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.8 ttp -58.1 -48.06 81.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.536 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.65 -43.54 98.66 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.131 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.03 82.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.931 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 69.2 ttt-85 -58.17 -45.9 86.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.253 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.28 -44.57 95.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.177 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.89 -42.84 94.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.174 0.511 . . . . 0.0 110.035 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 76.0 mt -61.03 -42.54 93.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.379 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 78.9 m -57.8 -45.64 85.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.003 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.27 -42.69 99.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.499 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.452 ' CD1' ' OE1' ' B' ' 93' ' ' GLU . 77.5 mt -59.73 -42.6 93.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 87.2 mt -60.95 -43.11 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.604 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.14 -38.72 87.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.744 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.37 -41.26 98.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.907 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -59.34 -40.23 85.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.713 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.29 -39.88 88.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.5 -36.08 83.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.172 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 45.4 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.289 179.714 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.512 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 121.93 0.872 . . . . 0.0 108.926 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.463 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.68 142.98 36.89 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.36 38.7 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.961 -1.087 . . . . 0.0 109.59 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.16 149.17 28.47 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.32 18.95 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.017 -1.052 . . . . 0.0 108.408 178.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.86 144.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.7 136.57 37.05 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 122.139 0.971 . . . . 0.0 110.154 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.2 mt -84.87 114.36 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.94 -4.3 19.25 Favored 'General case' 0 C--N 1.265 -3.1 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.908 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.79 85.77 Favored Pre-proline 0 N--CA 1.499 1.996 0 O-C-N 119.657 -1.902 . . . . 0.0 110.616 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.52 -47.64 12.98 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 124.798 3.665 . . . . 0.0 114.138 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -102.16 27.57 6.55 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 116.055 -2.258 . . . . 0.0 108.721 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.55 -136.66 50.38 Favored Glycine 0 N--CA 1.497 2.75 0 C-N-CA 117.731 -2.176 . . . . 0.0 109.533 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.6 mt -91.54 70.5 5.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.902 -1.352 . . . . 0.0 109.455 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.676 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.7 OUTLIER -60.63 176.21 0.4 Allowed 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 117.927 -1.509 . . . . 0.0 112.093 -179.315 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.507 ' HG1' ' CG2' ' A' ' 12' ' ' ILE . 3.6 p -42.89 -65.61 0.46 Allowed 'General case' 0 N--CA 1.504 2.269 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.48 ' N ' ' OG1' ' D' ' 316' ' ' THR . 4.4 tmm_? -58.03 -50.58 87.33 Favored Pre-proline 0 N--CA 1.493 1.685 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.517 -177.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.2 -32.31 63.0 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 120.854 1.036 . . . . 0.0 111.456 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.83 86.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.244 -0.91 . . . . 0.0 109.52 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.7 72.39 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.91 -39.45 94.19 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.497 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.549 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.68 -45.33 93.26 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.579 1.181 . . . . 0.0 108.669 -177.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.64 -42.27 95.38 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.672 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.83 -40.32 96.33 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.184 -0.947 . . . . 0.0 109.743 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.463 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.85 -39.63 79.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.812 . . . . 0.0 109.574 178.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.03 91.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.623 -1.298 . . . . 0.0 109.481 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.24 -16.31 43.88 Favored 'General case' 0 N--CA 1.51 2.543 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.83 -10.6 86.0 Favored Glycine 0 N--CA 1.48 1.611 0 O-C-N 119.958 -1.714 . . . . 0.0 109.322 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.404 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.43 143.31 32.87 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.198 -1.766 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.61 -30.05 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.305 -0.872 . . . . 0.0 112.363 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.8 158.56 10.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.804 -1.81 . . . . 0.0 112.794 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.575 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.0 130.31 35.39 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 102.8 -3.037 . . . . 0.0 102.8 171.316 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.69 136.58 60.39 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.396 0 O-C-N 121.07 -1.018 . . . . 0.0 109.298 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.408 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.6 m -124.94 143.14 51.03 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 123.052 1.406 . . . . 0.0 110.013 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.408 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.07 129.91 61.48 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.727 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 173.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 69.7 m -127.43 119.58 26.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.899 -1.126 . . . . 0.0 108.929 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.52 122.61 39.32 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.557 -0.714 . . . . 0.0 109.907 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.66 38.99 24.2 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.819 -1.176 . . . . 0.0 112.799 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.7 10.98 83.54 Favored Glycine 0 N--CA 1.501 3.015 0 O-C-N 119.917 -1.739 . . . . 0.0 112.536 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.73 158.52 33.05 Favored 'General case' 0 C--N 1.276 -2.615 0 CA-C-O 123.772 1.748 . . . . 0.0 112.444 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.37 Favored 'General case' 0 C--N 1.279 -2.467 0 CA-C-N 112.449 -2.159 . . . . 0.0 108.629 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.667 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.63 135.95 48.78 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 173.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.92 -6.78 47.51 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.751 -1.218 . . . . 0.0 110.73 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.667 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.52 13.0 31.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.634 -1.291 . . . . 0.0 109.331 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 67.8 m -133.13 104.22 6.4 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.249 1.023 . . . . 0.0 110.108 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.2 -38.03 73.08 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.921 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -58.87 -51.36 70.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.571 -1.331 . . . . 0.0 113.016 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.41 70.47 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 119.543 -1.973 . . . . 0.0 109.26 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.81 -33.75 75.86 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.944 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -67.66 -10.47 52.52 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.649 -0.657 . . . . 0.0 109.935 -177.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.7 p -89.84 -7.6 53.92 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 118.075 -1.45 . . . . 0.0 110.963 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.4 159.27 15.33 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.192 -0.943 . . . . 0.0 110.164 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.87 2.96 Favored Glycine 0 N--CA 1.485 1.943 0 N-CA-C 106.943 -2.463 . . . . 0.0 106.943 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 90.5 mt -119.64 47.44 1.72 Allowed 'General case' 0 C--N 1.309 -1.194 0 O-C-N 120.708 -1.466 . . . . 0.0 107.429 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 6.5 p -81.47 172.53 13.4 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.183 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.69 140.97 57.31 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.869 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.22 79.07 Favored Glycine 0 N--CA 1.5 2.947 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.416 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.44 135.91 34.07 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.876 -1.367 . . . . 0.0 110.633 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.47 123.69 48.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.16 160.14 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 C-N-CA 117.343 -1.743 . . . . 0.0 110.661 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.4 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.8 m -108.97 128.34 54.86 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.585 -1.322 . . . . 0.0 107.621 175.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.82 121.39 60.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 176.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.407 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.56 147.24 50.69 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.57 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.46 47.2 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.752 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.84 6.44 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 118.508 -1.277 . . . . 0.0 108.011 178.183 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.21 -170.28 40.11 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 117.977 -2.059 . . . . 0.0 110.337 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.6 83.03 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 114.356 -0.922 . . . . 0.0 112.129 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 115.878 -2.329 . . . . 0.0 108.616 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -33.52 65.73 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -174.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.469 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.61 27.34 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.549 -1.969 . . . . 0.0 110.962 -176.536 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.773 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.55 -40.73 97.77 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 178.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.42 77.92 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 117.436 -1.706 . . . . 0.0 110.051 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.9 -42.21 88.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 122.258 1.028 . . . . 0.0 109.26 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.88 -47.98 76.41 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.965 0.888 . . . . 0.0 108.65 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.773 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.78 -38.23 76.63 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.764 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.549 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.6 mt -75.66 -28.54 58.78 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.394 -1.441 . . . . 0.0 110.92 -174.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.48 70.64 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.29 62.81 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.463 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.19 84.3 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.503 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.45 -37.27 85.26 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.9 -1.125 . . . . 0.0 111.551 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.75 61.45 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.076 -1.015 . . . . 0.0 110.293 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.81 -32.38 46.3 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.478 -0.764 . . . . 0.0 111.337 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 125.5 12.24 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 124.299 2.0 . . . . 0.0 112.911 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.908 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 76.5 mt-10 . . . . . 0 C--N 1.277 -2.569 0 CA-C-N 111.148 -2.751 . . . . 0.0 110.077 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 64.4 mt . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -64.63 -47.01 80.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.88 0.371 . . . . 0.0 110.282 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -67.42 -36.23 80.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.247 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.92 -42.5 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.408 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -61.09 -44.87 99.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.952 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -59.31 -42.06 90.48 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.44 -42.07 97.75 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.2 mt -63.45 -43.01 98.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.869 0.366 . . . . 0.0 110.185 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.507 ' CG2' ' HG1' ' D' ' 316' ' ' THR . 95.0 mt -63.16 -44.71 99.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.75 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.17 -44.28 99.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.941 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -61.45 -45.01 96.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.818 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.512 ' OG ' ' OG ' ' A' ' 84' ' ' SER . 11.9 t -60.7 -45.21 95.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.031 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -42.16 99.24 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -63.62 -45.36 90.63 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -48.76 79.67 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.828 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.0 -45.65 93.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.84 -44.66 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.65 -41.54 97.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.737 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.57 78.03 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -59.9 -41.05 90.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.592 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.46 94.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.749 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.79 87.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.703 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.11 -44.49 97.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.443 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.4 -42.21 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.22 0.533 . . . . 0.0 109.597 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.14 -41.42 96.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.788 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.31 93.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.677 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.02 -29.36 70.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.196 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.37 -4.98 53.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.448 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.98 80.41 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -95.18 80.95 3.61 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.8 0.333 . . . . 0.0 110.238 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -65.37 -35.4 80.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.662 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -51.52 67.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.032 0.444 . . . . 0.0 110.821 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.65 81.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.306 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.67 -49.27 77.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.58 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.94 -41.35 96.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.67 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.03 94.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.4 mmm -65.06 -41.94 94.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.503 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.554 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 99.5 mmm -63.75 -39.84 95.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.612 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -62.38 -44.89 95.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.0 0.429 . . . . 0.0 110.522 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.53 -40.33 96.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.236 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.3 t -61.68 -45.72 92.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.577 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.705 ' NH2' HH12 ' A' ' 88' ' ' ARG . 62.7 ttm-85 -60.57 -42.38 96.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.342 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.2 mtt -61.7 -42.76 99.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.236 0.541 . . . . 0.0 110.61 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.84 96.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.208 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.68 -39.79 91.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.676 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -61.27 -41.48 97.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.263 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.0 -40.06 94.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.127 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.08 79.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.511 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -61.97 -38.48 88.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.376 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -61.27 -43.11 99.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.324 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.5 t -65.52 -43.53 94.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.129 0.49 . . . . 0.0 110.071 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.598 HE22 ' CG1' ' A' ' 59' ' ' ILE . 8.2 tm0? -60.97 -42.64 98.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.21 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -56.9 -43.41 81.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.041 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.34 -38.39 89.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.54 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.86 -28.44 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.598 ' CG1' HE22 ' A' ' 55' ' ' GLN . 71.8 mt -90.17 -31.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.472 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 120.976 0.417 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.499 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 96.6 p -130.76 161.92 30.65 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.5 mt -57.37 -43.94 83.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.65 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.26 -47.66 88.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 120.925 0.393 . . . . 0.0 110.585 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.499 ' H ' ' HG ' ' A' ' 71' ' ' SER . 91.2 mt -63.5 -41.68 98.53 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -178.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.93 -46.86 91.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.211 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.38 -45.19 92.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.787 0.327 . . . . 0.0 110.307 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.63 92.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.801 0.334 . . . . 0.0 110.656 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -62.96 -40.16 96.86 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.169 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 42.9 tp -57.31 -47.06 82.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.416 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.416 ' HD1' HG12 ' A' ' 12' ' ' ILE . 44.5 m170 -67.29 -46.95 72.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.708 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.73 -46.39 89.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.756 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.57 -44.19 97.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.244 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.8 p -62.91 -47.56 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.05 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.512 ' OG ' ' OG ' ' A' ' 15' ' ' SER . 66.0 m -61.39 -48.37 81.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.88 -48.34 80.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.55 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.36 -45.14 95.61 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.098 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -47.43 85.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.808 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.705 HH12 ' NH2' ' A' ' 45' ' ' ARG . 1.9 tmt_? -58.48 -45.68 88.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.082 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.415 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.0 mt-10 -61.37 -43.18 99.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.077 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.89 -42.99 97.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.114 0.483 . . . . 0.0 109.859 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 91' ' ' ILE . 79.1 mt -60.95 -42.26 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.282 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.554 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 18.4 m -57.11 -46.32 82.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.005 0.431 . . . . 0.0 109.847 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.28 -42.78 99.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.557 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 79.8 mt -60.08 -43.25 95.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.1 -42.96 95.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.47 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.33 -38.96 88.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.757 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.1 mt -62.37 -41.38 98.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.814 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.549 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 70.4 m80 -60.31 -39.7 87.94 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.22 -39.4 92.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.225 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.88 -38.78 92.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.255 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.417 -179.89 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 65.3 mt . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.562 0.22 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -64.4 -47.21 80.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.91 0.386 . . . . 0.0 110.366 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -67.13 -36.19 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.211 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.13 -42.44 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.358 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.11 -44.95 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.872 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mtp -59.49 -41.91 90.92 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.23 -42.37 97.92 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.6 mt -63.46 -42.84 98.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.308 . . . . 0.0 110.342 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.419 HG12 ' HD1' ' B' ' 80' ' ' HIS . 94.8 mt -63.21 -44.85 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.763 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.405 HG23 HD12 ' B' ' 13' ' ' ILE . 87.0 mt -63.03 -44.43 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.926 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -61.3 -45.24 95.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.854 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.502 ' OG ' ' OG ' ' B' ' 84' ' ' SER . 11.6 t -60.22 -45.33 93.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.109 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.47 -42.21 99.06 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.41 -45.41 91.12 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.53 -48.43 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.945 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.25 -45.68 93.52 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.71 -44.78 81.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.61 -41.71 97.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.741 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.78 -48.58 77.57 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.415 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 21.8 m-85 -59.87 -41.26 91.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.685 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.58 93.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.758 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.73 87.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.664 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.21 -44.75 96.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.31 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -55.21 -42.11 72.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.31 -41.54 97.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.89 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.32 92.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.703 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.71 -29.62 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.062 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -79.49 -4.85 53.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.88 11.8 80.86 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -94.92 80.56 3.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 110.341 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.32 -35.21 80.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.592 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -51.41 67.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.025 0.44 . . . . 0.0 110.786 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.37 -35.25 79.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.394 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.61 75.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.528 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.64 -41.48 95.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.538 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.53 96.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.582 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.4 mmm -64.73 -42.04 95.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 99.6 mmm -63.43 -40.47 97.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.533 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -61.75 -45.46 93.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.494 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.16 -40.39 97.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.338 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.0 t -61.41 -45.91 92.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.491 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.712 ' NH2' HH12 ' B' ' 88' ' ' ARG . 62.7 ttm-85 -60.39 -42.66 96.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.273 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.44 -42.98 99.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.301 0.572 . . . . 0.0 110.66 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.27 96.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.136 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.2 -39.89 93.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.724 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -61.17 -41.49 96.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.393 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.99 -40.09 94.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.156 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.97 79.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.454 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -62.29 -38.29 88.81 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.339 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.38 -43.32 99.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.327 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.23 -43.68 95.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.012 0.434 . . . . 0.0 109.921 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.593 HE22 ' CG1' ' B' ' 59' ' ' ILE . 8.1 tm0? -60.87 -43.04 98.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.232 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -56.66 -43.31 80.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.935 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.38 -38.72 90.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.883 0.373 . . . . 0.0 110.557 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.6 -28.49 69.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.593 ' CG1' HE22 ' B' ' 55' ' ' GLN . 71.9 mt -90.04 -31.75 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.855 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.865 0.365 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.461 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 95.6 p -130.43 164.22 25.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.566 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 38.0 mt -60.08 -43.53 95.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.531 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.59 -46.82 93.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.461 ' H ' ' HG ' ' B' ' 71' ' ' SER . 91.4 mt -64.18 -40.91 97.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.44 -47.18 91.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.261 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.49 -44.57 93.05 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.345 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.5 90.74 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.854 0.359 . . . . 0.0 110.329 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.91 -39.84 95.76 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 43.7 tp -57.56 -46.93 83.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.394 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.419 ' HD1' HG12 ' B' ' 12' ' ' ILE . 45.1 m170 -67.46 -46.78 72.04 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.764 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.93 -46.25 90.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.47 -44.41 97.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.203 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 21.1 p -62.86 -47.3 83.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.149 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.502 ' OG ' ' OG ' ' B' ' 15' ' ' SER . 67.3 m -61.55 -48.29 81.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.651 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -57.91 -48.3 80.29 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.445 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.47 -45.21 95.21 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.131 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.53 84.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.897 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.712 HH12 ' NH2' ' B' ' 45' ' ' ARG . 1.9 tmt_? -58.17 -45.92 86.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.218 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.424 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -61.29 -43.26 99.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.12 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.7 -43.02 97.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.055 0.455 . . . . 0.0 110.011 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.3 mt -60.99 -42.26 92.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.206 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 17.8 m -57.05 -46.13 82.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.005 0.431 . . . . 0.0 109.886 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.52 -42.97 98.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.536 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.53 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 81.1 mt -59.64 -43.54 93.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.77 -43.15 94.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.518 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.27 -38.92 88.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.743 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 33.1 mt -62.6 -41.11 98.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.835 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.0 m80 -60.35 -39.72 88.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.32 -39.66 93.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.087 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.7 -39.1 93.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.143 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.38 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 64.6 mt . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.59 0.233 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.53 -47.27 79.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.409 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.88 -36.6 82.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.294 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.85 -42.61 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.328 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.95 -44.98 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.126 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.9 mtp -59.3 -42.01 90.31 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.22 -42.26 97.98 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.48 -42.88 98.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 110.388 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.411 HG12 ' HD1' ' C' ' 80' ' ' HIS . 93.7 mt -63.23 -44.55 99.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.648 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.21 -44.45 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.002 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -61.2 -45.26 95.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.8 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' SER . . . . . 0.497 ' OG ' ' OG ' ' C' ' 84' ' ' SER . 11.7 t -60.38 -45.12 94.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.145 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.4 -42.58 99.05 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.106 -1.197 . . . . 0.0 110.106 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.33 -45.12 92.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.82 79.98 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.92 -45.79 93.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.57 -45.15 81.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.04 -41.88 97.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.688 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.9 -48.44 78.2 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.424 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.8 m-85 -60.07 -41.12 91.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.591 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.54 93.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.742 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.81 87.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.567 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.05 -44.62 97.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.43 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -55.57 -41.95 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.39 -41.04 96.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.927 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.21 93.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.754 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.4 -29.18 70.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.039 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.6 -4.74 52.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.528 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.96 12.09 80.24 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.18 80.79 3.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.756 0.312 . . . . 0.0 110.247 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.51 -35.19 80.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.535 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.28 -51.45 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.059 0.457 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.28 79.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.402 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.44 76.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.507 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.7 -41.71 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.582 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.21 94.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.778 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.03 -42.17 94.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.551 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 99.4 mmm -63.38 -40.22 96.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.61 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -61.89 -45.17 94.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.895 0.379 . . . . 0.0 110.46 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.31 -40.38 97.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 39.0 t -61.7 -45.91 91.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.562 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.709 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.7 ttm-85 -60.53 -41.98 95.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.303 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.9 -43.15 99.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.336 0.588 . . . . 0.0 110.554 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.46 98.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.31 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.13 -39.73 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.776 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -61.54 -41.17 96.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.358 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.17 -40.54 94.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.99 0.424 . . . . 0.0 110.056 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.35 -45.42 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.442 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -61.66 -38.6 88.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.45 -43.01 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.324 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 77.7 t -65.37 -43.45 94.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.033 0.444 . . . . 0.0 109.985 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.581 HE22 ' CG1' ' C' ' 59' ' ' ILE . 7.8 tm0? -60.91 -43.26 98.79 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.291 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.8 m -56.43 -43.24 79.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.125 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.65 -38.36 90.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.883 0.373 . . . . 0.0 110.482 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.74 -28.47 69.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.805 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.581 ' CG1' HE22 ' C' ' 55' ' ' GLN . 71.6 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' SER . . . . . 0.456 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 95.8 p . . . . . 0 C--O 1.227 -0.083 0 CA-C-O 121.065 0.46 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.98 -42.69 99.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.706 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.85 -47.3 88.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 130.072 3.349 . . . . 0.0 110.589 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' C' ' 71' ' ' SER . 90.9 mt -66.09 -40.94 91.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.059 0.456 . . . . 0.0 110.926 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.54 -47.48 90.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.226 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.54 -44.71 93.14 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.305 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.34 -44.72 90.6 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.913 0.387 . . . . 0.0 110.456 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -62.84 -39.99 96.05 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.285 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 43.2 tp -57.21 -47.13 82.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.528 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.411 ' HD1' HG12 ' C' ' 12' ' ' ILE . 45.2 m170 -67.23 -47.05 71.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.767 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 55.6 mt -62.0 -45.96 91.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.82 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.67 -44.04 97.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.372 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.3 p -63.25 -47.18 83.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.179 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.497 ' OG ' ' OG ' ' C' ' 15' ' ' SER . 66.6 m -61.76 -48.07 82.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -58.12 -48.25 80.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.711 0.291 . . . . 0.0 110.462 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.54 -45.17 95.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.168 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.87 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.908 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . 0.709 HH12 ' NH2' ' C' ' 45' ' ' ARG . 1.9 tmt_? -57.88 -45.89 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.238 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.25 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.134 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.78 -42.73 97.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.174 0.512 . . . . 0.0 110.009 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . 0.443 HD12 HG22 ' C' ' 91' ' ' ILE . 77.9 mt -61.12 -42.35 92.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.408 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 92' ' ' THR . . . . . 0.551 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 17.9 m -56.86 -46.05 82.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.048 0.451 . . . . 0.0 109.939 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.76 -43.01 97.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.557 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.6 mt -59.5 -43.32 93.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.506 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.09 -42.98 95.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.578 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -61.3 -38.84 88.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.738 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 33.2 mt -62.46 -41.43 98.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.851 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 70.4 m80 -60.24 -39.99 88.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.716 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -62.06 -39.36 92.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.127 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.72 -39.18 93.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.192 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.5 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.415 -179.842 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.516 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 121.845 0.831 . . . . 0.0 109.002 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.84 143.07 36.61 Favored 'General case' 0 C--N 1.288 -2.109 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.08 156.27 38.39 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.067 -1.02 . . . . 0.0 109.552 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.24 28.58 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.28 19.01 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.087 -1.008 . . . . 0.0 108.439 178.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.31 19.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.66 136.58 36.99 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.117 0.96 . . . . 0.0 110.186 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.87 114.3 24.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.9 -4.28 19.33 Favored 'General case' 0 C--N 1.264 -3.125 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.899 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.59 141.77 85.54 Favored Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 119.765 -1.835 . . . . 0.0 110.618 178.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.45 -47.65 12.82 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 124.748 3.632 . . . . 0.0 114.146 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.542 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.1 m-20 -102.13 27.54 6.56 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 116.055 -2.258 . . . . 0.0 108.811 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.2 -142.25 47.71 Favored Glycine 0 N--CA 1.497 2.722 0 C-N-CA 117.611 -2.233 . . . . 0.0 109.618 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.1 tp -90.64 75.07 6.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.972 -1.311 . . . . 0.0 109.491 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.58 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.7 p80 -68.72 175.63 3.45 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 117.908 -1.517 . . . . 0.0 112.102 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 12.7 p -39.35 -66.19 0.31 Allowed 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 117.337 2.347 . . . . 0.0 117.337 -177.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.439 ' N ' ' OG1' ' D' ' 316' ' ' THR . 1.8 tmm_? -56.56 -52.27 74.71 Favored Pre-proline 0 N--CA 1.492 1.668 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.565 -177.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.36 -32.25 61.24 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 C-N-CA 120.753 0.969 . . . . 0.0 111.492 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.95 -38.91 86.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.237 -0.914 . . . . 0.0 109.449 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.93 -39.71 72.5 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.91 -39.48 94.27 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 118.002 -1.479 . . . . 0.0 109.459 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.546 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.71 -45.27 93.52 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 122.596 1.188 . . . . 0.0 108.715 -177.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . 0.611 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.5 t -62.69 -42.25 95.4 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.276 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.651 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . 0.418 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 97.3 mttt -63.86 -40.28 96.2 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.181 -0.949 . . . . 0.0 109.812 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.467 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.77 -39.73 80.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.474 -0.766 . . . . 0.0 109.528 177.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.0 91.7 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.627 -1.296 . . . . 0.0 109.399 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . 0.611 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.8 mttp -61.31 -16.23 43.65 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.237 -0.915 . . . . 0.0 113.388 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.58 86.12 Favored Glycine 0 N--CA 1.479 1.54 0 O-C-N 119.895 -1.753 . . . . 0.0 109.247 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.402 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.5 143.35 32.83 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.183 -1.775 . . . . 0.0 110.004 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.2 p -75.6 -30.14 59.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.238 -0.914 . . . . 0.0 112.284 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.69 158.59 9.94 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.769 -1.832 . . . . 0.0 112.85 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.575 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.03 130.32 35.39 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 102.736 -3.061 . . . . 0.0 102.736 171.314 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.74 136.58 60.38 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 CA-C-O 122.191 0.996 . . . . 0.0 109.299 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.405 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.6 m -124.95 143.23 50.99 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 123.104 1.431 . . . . 0.0 109.963 178.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.405 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.11 129.95 61.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.731 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 173.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.46 119.54 26.34 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.812 -1.18 . . . . 0.0 108.942 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.58 122.63 39.32 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.902 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.7 39.04 24.44 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.808 -1.182 . . . . 0.0 112.751 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.56 11.06 83.59 Favored Glycine 0 N--CA 1.502 3.065 0 O-C-N 119.903 -1.748 . . . . 0.0 112.55 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.79 158.54 33.09 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-O 123.799 1.761 . . . . 0.0 112.408 -175.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.38 Favored 'General case' 0 C--N 1.279 -2.48 0 CA-C-N 112.484 -2.144 . . . . 0.0 108.613 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.661 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.61 135.97 48.84 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 173.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.02 -6.73 47.43 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.758 -1.214 . . . . 0.0 110.686 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.661 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.48 12.98 31.47 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.622 -1.299 . . . . 0.0 109.392 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 68.4 m -133.05 104.14 6.38 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 122.114 0.959 . . . . 0.0 110.169 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.7 tp -57.24 -37.95 73.05 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.944 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -58.85 -51.33 70.46 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.595 -1.316 . . . . 0.0 113.044 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.44 70.51 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 119.522 -1.986 . . . . 0.0 109.204 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.81 -33.69 75.75 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.951 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -67.62 -10.54 53.07 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.647 -0.658 . . . . 0.0 109.907 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 3.2 p -89.73 -7.81 53.68 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 118.123 -1.431 . . . . 0.0 110.926 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.4 mt -93.34 159.25 15.34 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.194 -0.941 . . . . 0.0 110.202 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.87 2.97 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 106.845 -2.502 . . . . 0.0 106.845 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 91.1 mt -119.64 47.37 1.73 Allowed 'General case' 0 C--N 1.309 -1.173 0 O-C-N 120.702 -1.47 . . . . 0.0 107.459 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 3.7 p -81.41 172.49 13.48 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.224 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -60.66 140.91 57.28 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.872 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.45 -3.22 78.9 Favored Glycine 0 N--CA 1.5 2.947 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.358 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.4 135.88 34.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.909 -1.348 . . . . 0.0 110.609 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.7 t -96.39 123.72 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 106.376 -1.712 . . . . 0.0 106.376 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.22 160.03 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 C-N-CA 117.385 -1.726 . . . . 0.0 110.625 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.6 m -108.85 128.43 54.9 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.484 -1.385 . . . . 0.0 107.569 175.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.87 121.37 60.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.24 50.7 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.5 47.23 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 118.489 -1.284 . . . . 0.0 109.732 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.3 110.84 6.42 Favored 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 118.455 -1.298 . . . . 0.0 107.972 178.217 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.32 40.12 Favored Glycine 0 C--N 1.296 -1.678 0 C-N-CA 118.02 -2.038 . . . . 0.0 110.368 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.42 -40.5 82.64 Favored 'General case' 0 C--N 1.277 -2.545 0 CA-C-N 114.406 -0.897 . . . . 0.0 112.229 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.05 36.73 3.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 118.99 -2.319 . . . . 0.0 108.553 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.57 65.83 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -174.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.486 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.65 27.64 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 119.512 -1.993 . . . . 0.0 110.979 -176.548 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.774 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.7 97.65 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.5 77.62 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 117.458 -1.697 . . . . 0.0 110.056 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.87 -42.14 88.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 CA-C-O 122.122 0.963 . . . . 0.0 109.265 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.93 -47.82 76.84 Favored 'General case' 0 C--N 1.287 -2.138 0 CA-C-O 122.096 0.951 . . . . 0.0 108.785 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.774 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.83 -38.35 76.49 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.669 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.8 mt -75.61 -28.57 58.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.355 -1.466 . . . . 0.0 110.923 -174.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.49 70.78 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 N-CA-C 106.336 -1.728 . . . . 0.0 106.336 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.9 -49.19 63.33 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.467 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.24 84.45 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.474 177.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.33 -37.35 85.25 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.858 -1.151 . . . . 0.0 111.56 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.99 -31.76 61.51 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.007 -1.058 . . . . 0.0 110.242 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.9 -32.3 45.69 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.47 -0.769 . . . . 0.0 111.337 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.0 125.45 12.1 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 124.282 1.992 . . . . 0.0 112.952 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.899 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.6 mt-10 . . . . . 0 C--N 1.276 -2.61 0 CA-C-N 111.16 -2.745 . . . . 0.0 110.097 -177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.19 -46.1 82.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.922 0.391 . . . . 0.0 110.322 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.39 -34.9 76.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.261 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.25 -42.58 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.384 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.45 -43.44 96.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.943 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.3 mtp -58.38 -42.16 86.44 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.03 -41.96 98.37 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.92 -43.06 99.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.845 0.355 . . . . 0.0 110.201 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.6 mt -62.84 -44.45 99.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.742 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.418 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 90.5 mt -63.47 -44.49 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.966 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' A' ' 14' ' ' ASN . 46.8 t-20 -61.43 -45.65 93.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.812 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -60.65 -44.69 96.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.009 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.29 -43.22 98.77 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.7 -43.67 95.93 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.82 -49.77 75.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.827 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.27 -46.81 88.52 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -54.61 -44.21 72.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.47 -42.26 98.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.774 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.5 -50.31 74.41 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.87 -42.24 93.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.577 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.53 92.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.815 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.37 -42.42 86.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.646 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.26 -45.18 95.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.455 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.53 -42.34 74.45 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.46 -41.65 94.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.848 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.31 93.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.771 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.54 -29.39 69.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.114 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -79.89 -4.85 54.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.485 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.29 74.77 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.84 80.36 3.02 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.759 0.314 . . . . 0.0 110.277 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -64.24 -35.01 79.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.69 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.12 80.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.981 0.419 . . . . 0.0 110.698 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.54 81.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.11 80.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.56 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -62.38 -42.36 99.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.569 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.74 99.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.793 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.8 mmm -64.93 -40.45 95.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.545 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.66 -39.94 95.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.65 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.9 -44.63 96.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.986 0.422 . . . . 0.0 110.593 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.69 -40.35 96.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.175 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -60.56 -46.1 91.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.494 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.16 -42.03 94.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.308 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 61.3 mtt -61.82 -42.61 99.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.2 93.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.205 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.62 -40.29 95.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.693 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.91 -41.88 96.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.298 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.17 -39.95 93.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.214 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.38 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.504 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -61.74 -38.29 87.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.416 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -60.62 -43.78 97.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.55 -43.11 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.469 . . . . 0.0 110.022 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -60.44 -43.99 96.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.267 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -57.08 -42.81 81.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.974 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.42 -39.96 89.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.575 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.68 -40.56 76.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.62 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.42 -40.51 84.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.819 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.503 -179.298 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 121.009 0.433 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.6 p -135.89 171.61 14.21 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.32 -44.63 84.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.6 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.1 t -62.39 -45.04 99.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.878 0.37 . . . . 0.0 110.559 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.06 -39.5 90.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.055 0.455 . . . . 0.0 110.867 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 56.8 t -59.94 -47.23 92.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.194 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -57.92 -46.46 84.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.41 98.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.684 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.609 HE22 ' CE1' ' B' ' 80' ' ' HIS . 59.3 tt0 -62.96 -39.69 95.43 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.141 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.7 tp -57.42 -46.77 83.16 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.359 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -67.38 -47.29 70.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.733 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.81 -45.35 94.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.767 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.98 -43.58 98.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.223 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.9 p -63.06 -47.67 81.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.11 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.9 t -61.8 -49.29 76.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.42 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -58.34 -48.03 81.85 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.519 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.02 -44.36 96.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.036 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.24 82.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.769 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -58.47 -44.13 89.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.132 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.49 ' O ' ' OE2' ' A' ' 93' ' ' GLU . 78.1 mm-40 -60.28 -44.98 94.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.089 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.64 -42.14 95.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.093 0.473 . . . . 0.0 109.871 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.52 -41.91 89.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.317 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 m -57.8 -45.7 85.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.461 . . . . 0.0 109.939 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' OE2' ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -63.32 -43.16 98.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.586 179.038 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 40.3 mt -59.4 -43.9 92.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.42 HD13 HG22 ' A' ' 95' ' ' ILE . 90.9 mt -61.65 -43.19 96.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.514 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.81 -41.45 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.55 -42.58 99.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.854 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 60.9 m80 -60.62 -41.52 95.01 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.05 -38.49 91.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.171 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -64.42 -40.14 95.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.218 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.382 179.61 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 58.1 mt . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.577 0.227 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.32 -46.09 81.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.326 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.11 -34.98 77.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.123 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.59 -42.35 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.355 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 84.9 t -61.76 -43.07 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.859 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.3 mtp -58.64 -42.16 87.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.19 -41.84 98.18 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.9 -43.04 99.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.717 0.294 . . . . 0.0 110.347 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.99 -44.53 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.665 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.38 -44.58 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.921 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -61.13 -46.0 92.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.824 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.44 -44.64 95.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.145 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.33 -43.42 98.41 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.24 -43.88 96.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.75 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.905 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.19 -46.95 87.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m -54.37 -44.09 71.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.77 -42.7 97.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.642 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.03 -50.44 74.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.7 -42.43 93.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.662 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.72 91.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.773 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.57 86.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.671 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.23 -45.27 95.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.265 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.66 -42.18 74.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.217 0.532 . . . . 0.0 109.582 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.63 -41.54 95.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.931 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.32 93.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.763 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.54 -29.38 69.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.072 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -80.05 -4.73 53.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.377 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.1 12.94 75.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.38 80.42 3.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.762 0.315 . . . . 0.0 110.292 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -64.48 -34.89 79.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.582 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.92 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.032 0.444 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.6 81.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.389 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.5 79.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.577 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.93 -42.67 99.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.569 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.74 99.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.708 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.19 -40.63 94.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.26 -40.27 96.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.588 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.81 -44.5 96.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.438 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.6 -40.27 96.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.307 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -60.84 -45.82 93.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.56 -41.81 95.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.275 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.74 -42.59 99.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.275 0.56 . . . . 0.0 110.625 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.98 93.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.18 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.99 -40.29 94.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.713 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.68 -41.8 95.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.41 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.27 -40.27 93.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.128 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.31 80.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.466 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.55 -38.81 88.81 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.254 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.42 -43.25 96.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.389 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.17 -43.19 92.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.075 0.464 . . . . 0.0 109.962 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -60.44 -43.97 96.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m -56.69 -43.19 80.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.976 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.27 -40.05 89.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.895 0.378 . . . . 0.0 110.552 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.66 -40.13 76.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.736 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.412 HD12 HG23 ' B' ' 59' ' ' ILE . 96.7 mt -67.78 -40.54 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.764 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.567 -179.371 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 120.826 0.346 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 47.0 p -135.86 172.61 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tt -59.5 -44.47 93.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.562 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 64.5 t -61.68 -44.14 98.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.64 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.47 -39.14 89.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.095 0.474 . . . . 0.0 110.989 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.1 -47.67 91.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.273 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.55 -46.18 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.75 99.29 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.824 0.345 . . . . 0.0 110.412 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.604 HE22 ' CE1' ' C' ' 80' ' ' HIS . 59.0 tt0 -62.66 -39.43 93.88 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.282 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 39.3 tp -57.62 -46.74 83.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.416 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.609 ' CE1' HE22 ' A' ' 78' ' ' GLN . 77.7 m80 -67.34 -47.38 70.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.719 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.7 -45.5 93.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.813 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.92 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.262 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.1 p -63.35 -47.06 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.23 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 5.3 t -62.25 -49.19 76.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.608 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -58.57 -47.72 83.32 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.777 0.323 . . . . 0.0 110.506 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.21 -44.33 96.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.17 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.76 -46.8 84.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.823 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -58.77 -44.26 90.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.214 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' B' ' 93' ' ' GLU . 77.3 mm-40 -59.98 -45.38 92.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.167 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.11 -42.26 96.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.139 0.495 . . . . 0.0 110.061 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 79.0 mt -60.5 -41.92 89.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.308 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 18.8 m -57.75 -45.82 85.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.048 0.451 . . . . 0.0 109.797 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . 0.476 ' OE2' ' O ' ' B' ' 89' ' ' GLU . 0.8 OUTLIER -63.15 -43.27 98.77 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.159 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.548 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 41.3 mt -59.47 -44.06 93.1 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.426 HD13 HG22 ' B' ' 95' ' ' ILE . 92.6 mt -61.54 -43.23 96.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.526 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.67 -41.63 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 mt -62.53 -42.69 99.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.804 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.548 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 60.7 m80 -60.19 -41.81 93.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.052 0.453 . . . . 0.0 109.793 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.92 -38.48 91.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.153 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -64.47 -40.16 95.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.169 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.389 179.523 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 57.7 mt . . . . . 0 CA--C 1.522 -0.127 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.0 -46.21 82.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.833 0.349 . . . . 0.0 110.386 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.22 -34.62 76.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.292 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.68 -42.55 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.389 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.53 -43.04 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.069 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.7 mtp -58.7 -42.3 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.86 -41.81 98.65 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.91 -43.24 99.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 0.0 110.353 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.97 -44.23 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.646 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.417 HG22 HD11 ' C' ' 13' ' ' ILE . 90.3 mt -63.31 -44.53 99.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -61.58 -45.76 92.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.784 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -60.56 -44.69 95.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.15 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.1 99.13 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.72 -43.74 95.65 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.76 75.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.799 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.41 -46.79 88.75 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 48.9 m -54.63 -44.32 73.08 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.3 -42.42 99.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.737 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.63 -50.14 75.02 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.81 -42.68 94.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.508 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.41 91.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.705 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.34 87.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.574 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.38 -44.95 96.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.387 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.05 -41.97 75.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.534 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.57 -41.56 94.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.96 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.55 93.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.852 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.3 -29.65 70.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.068 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -79.62 -4.73 52.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.471 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.23 74.93 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.73 80.86 3.1 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.736 0.303 . . . . 0.0 110.327 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -64.71 -34.78 79.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.539 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.39 79.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.443 . . . . 0.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.18 80.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.415 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -48.14 79.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.492 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -61.99 -42.73 99.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.551 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.05 -42.69 99.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.776 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.22 -40.56 94.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 91.6 mmm -63.26 -40.48 97.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.625 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.47 -44.78 96.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.934 0.397 . . . . 0.0 110.456 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.67 -40.12 96.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -60.62 -46.07 91.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.491 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.26 -42.0 94.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.335 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.77 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.307 0.575 . . . . 0.0 110.575 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.93 95.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.3 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.09 -40.46 94.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.731 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.78 -41.91 96.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.331 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.13 -40.04 93.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.024 0.44 . . . . 0.0 110.031 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.58 -45.67 78.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.411 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.542 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 60.1 t-80 -61.32 -38.63 87.57 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.364 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.62 -43.37 97.55 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.323 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.81 -43.42 93.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.024 0.44 . . . . 0.0 109.932 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -60.28 -44.01 95.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -56.93 -42.68 80.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.185 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.7 -39.63 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.542 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.87 -40.23 75.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.826 179.725 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 37.9 p . . . . . 0 C--O 1.226 -0.177 0 CA-C-O 121.059 0.457 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.96 -45.12 93.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.699 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 65.2 t -62.2 -44.71 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 129.996 3.319 . . . . 0.0 110.615 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.11 -39.11 93.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.099 0.476 . . . . 0.0 111.073 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.28 -47.97 90.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.201 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.95 -45.84 86.03 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.292 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.46 99.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.885 0.374 . . . . 0.0 110.399 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -62.97 -39.23 94.07 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.234 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 39.2 tp -57.77 -46.85 83.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.474 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.604 ' CE1' HE22 ' B' ' 78' ' ' GLN . 77.8 m80 -67.32 -47.32 70.88 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.762 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.67 -45.71 92.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.888 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -61.47 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.385 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.6 p -63.43 -47.44 81.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.192 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -61.46 -49.65 75.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -58.2 -48.21 81.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.499 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.78 -44.42 96.92 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.159 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -46.94 83.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.864 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -58.68 -44.5 90.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.191 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . 0.506 ' O ' ' OE2' ' C' ' 93' ' ' GLU . 77.6 mm-40 -59.64 -45.44 91.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.908 0.385 . . . . 0.0 110.194 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.31 -42.35 96.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 109.999 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . 0.414 HD11 HG21 ' C' ' 91' ' ' ILE . 77.2 mt -60.18 -42.16 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.417 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 18.2 m -57.52 -45.68 84.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.551 -0.459 . . . . 0.0 109.944 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . 0.506 ' OE2' ' O ' ' C' ' 89' ' ' GLU . 0.7 OUTLIER -63.34 -42.86 98.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.496 179.213 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.568 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 41.6 mt -59.84 -43.92 94.36 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.52 -43.47 96.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.592 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -60.26 -41.68 93.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.723 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.38 -42.65 99.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.942 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.568 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 60.5 m80 -60.68 -41.4 95.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.1 -38.63 91.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.093 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -64.15 -40.45 96.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.233 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.314 179.724 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.507 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 121.923 0.868 . . . . 0.0 108.945 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.79 143.03 36.7 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.24 38.4 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.031 -1.043 . . . . 0.0 109.576 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.36 18.92 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.97 -1.082 . . . . 0.0 108.414 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.89 144.33 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.66 136.57 37.0 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 122.138 0.971 . . . . 0.0 110.113 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.41 25.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.95 -4.4 19.14 Favored 'General case' 0 C--N 1.264 -3.146 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.911 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.44 141.79 85.95 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 119.678 -1.889 . . . . 0.0 110.587 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -45.48 -47.68 12.83 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 124.795 3.663 . . . . 0.0 114.131 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -102.15 27.55 6.56 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 116.117 -2.233 . . . . 0.0 108.71 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.08 -145.46 43.99 Favored Glycine 0 N--CA 1.496 2.685 0 C-N-CA 117.67 -2.205 . . . . 0.0 109.645 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.3 tp -88.62 79.45 7.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.899 -1.353 . . . . 0.0 109.56 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -75.76 177.24 7.03 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 117.876 -1.53 . . . . 0.0 112.136 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 43.1 p -36.36 -68.65 0.13 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.536 ' NH2' ' OG ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -57.03 -52.44 74.08 Favored Pre-proline 0 N--CA 1.492 1.665 0 C-N-CA 120.136 -0.626 . . . . 0.0 112.538 -176.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.26 -32.18 62.42 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 CA-C-N 119.448 0.839 . . . . 0.0 111.571 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.03 -38.82 86.61 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.426 -0.91 . . . . 0.0 109.47 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.66 72.61 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -64.03 -39.3 93.78 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.964 -1.495 . . . . 0.0 109.48 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.552 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.78 -45.3 93.29 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.664 1.221 . . . . 0.0 108.693 -177.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.61 -42.29 95.41 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.63 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.93 -40.2 95.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.356 -0.84 . . . . 0.0 109.771 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.458 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.78 -39.75 80.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.394 -0.816 . . . . 0.0 109.543 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.04 91.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.612 -1.305 . . . . 0.0 109.384 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.3 -16.22 43.5 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.59 86.12 Favored Glycine 0 N--CA 1.479 1.528 0 O-C-N 119.88 -1.763 . . . . 0.0 109.262 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.4 143.34 32.83 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.289 -1.713 . . . . 0.0 110.036 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.2 p -75.64 -29.99 59.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.329 -0.857 . . . . 0.0 112.342 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.82 158.54 10.32 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 119.873 -1.767 . . . . 0.0 112.843 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.581 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.28 35.4 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 102.835 -3.024 . . . . 0.0 102.835 171.301 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.75 136.52 60.56 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 CA-C-O 122.257 1.027 . . . . 0.0 109.3 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.411 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.7 m -124.91 143.18 50.99 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-O 123.144 1.449 . . . . 0.0 109.983 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.411 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.1 129.88 61.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 173.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 69.7 m -127.39 119.66 26.69 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.882 -1.136 . . . . 0.0 108.967 -178.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.62 122.58 39.17 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.524 -0.735 . . . . 0.0 109.884 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.69 38.99 24.29 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.976 -1.078 . . . . 0.0 112.763 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 11.06 83.46 Favored Glycine 0 N--CA 1.502 3.039 0 O-C-N 119.941 -1.724 . . . . 0.0 112.469 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.9 136.28 54.56 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 105.21 -2.144 . . . . 0.0 105.21 177.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.78 158.51 33.16 Favored 'General case' 0 C--N 1.276 -2.593 0 CA-C-O 123.825 1.774 . . . . 0.0 112.442 -176.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.65 151.41 31.44 Favored 'General case' 0 C--N 1.28 -2.451 0 CA-C-N 112.417 -2.174 . . . . 0.0 108.527 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.668 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.56 136.0 48.94 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 173.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.03 -6.78 47.8 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.734 -1.229 . . . . 0.0 110.688 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.668 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.49 12.97 31.53 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.686 -1.259 . . . . 0.0 109.375 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 69.5 m -133.06 104.2 6.41 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 122.189 0.995 . . . . 0.0 110.191 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.27 -37.88 73.04 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.934 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . 0.463 ' CE2' ' OE2' ' A' ' 5' ' ' GLU . 57.6 m-85 -58.86 -51.43 70.06 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.571 -1.33 . . . . 0.0 113.054 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.02 -32.46 70.63 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 119.569 -1.957 . . . . 0.0 109.224 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.76 -33.77 75.86 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.96 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -67.64 -10.44 52.17 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.653 -0.654 . . . . 0.0 109.951 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.6 p -89.75 -7.69 53.92 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 118.071 -1.451 . . . . 0.0 110.937 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.43 159.27 15.32 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.242 -0.911 . . . . 0.0 110.11 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.88 2.97 Favored Glycine 0 N--CA 1.486 2.004 0 N-CA-C 106.901 -2.479 . . . . 0.0 106.901 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.0 mt -119.54 47.29 1.74 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.728 -1.454 . . . . 0.0 107.4 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 5.0 p -81.45 172.61 13.31 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.22 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.74 140.94 57.38 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.837 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.21 79.03 Favored Glycine 0 N--CA 1.5 2.958 0 C-N-CA 120.014 -1.089 . . . . 0.0 111.395 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.48 135.91 34.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.955 -1.321 . . . . 0.0 110.664 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.5 123.73 48.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.7 m -112.17 160.06 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 117.419 -1.712 . . . . 0.0 110.65 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 91.8 m -108.85 128.37 54.85 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.487 -1.383 . . . . 0.0 107.592 175.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.84 121.41 60.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.34 50.71 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -179.591 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.83 153.38 47.05 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 118.496 -1.282 . . . . 0.0 109.712 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.507 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.76 6.42 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 118.593 -1.243 . . . . 0.0 108.084 178.19 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.31 40.17 Favored Glycine 0 C--N 1.296 -1.673 0 C-N-CA 118.067 -2.016 . . . . 0.0 110.404 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.41 -40.65 83.03 Favored 'General case' 0 C--N 1.276 -2.606 0 CA-C-N 114.392 -0.904 . . . . 0.0 112.146 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.95 36.72 3.56 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 115.921 -2.312 . . . . 0.0 108.667 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.52 65.82 Favored 'General case' 0 N--CA 1.521 3.076 0 N-CA-C 116.824 2.157 . . . . 0.0 116.824 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.467 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.65 27.45 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 119.578 -1.951 . . . . 0.0 110.953 -176.546 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.765 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.54 -40.66 97.6 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 178.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.59 77.29 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 117.551 -1.659 . . . . 0.0 109.972 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.85 -42.18 88.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-O 122.176 0.989 . . . . 0.0 109.286 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.86 -47.91 76.46 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-O 122.006 0.908 . . . . 0.0 108.776 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.765 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.74 -38.32 76.8 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.736 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.61 -28.69 58.96 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.426 -1.421 . . . . 0.0 110.835 -174.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.39 -39.49 71.72 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.454 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.2 63.24 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.458 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.19 84.36 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.98 -1.088 . . . . 0.0 110.547 177.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.38 -37.36 85.43 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.968 -1.083 . . . . 0.0 111.54 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.83 61.65 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.041 -1.037 . . . . 0.0 110.213 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.29 45.8 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.511 -0.743 . . . . 0.0 111.333 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.51 12.39 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 124.308 2.004 . . . . 0.0 112.923 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.911 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 14.2 pt-20 . . . . . 0 C--N 1.276 -2.594 0 CA-C-N 111.165 -2.743 . . . . 0.0 110.118 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.463 ' OE2' ' CE2' ' D' ' 348' ' ' PHE . 81.9 tt0 -63.73 -45.85 88.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.89 0.376 . . . . 0.0 110.273 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.39 -36.89 85.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.229 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.7 t -63.47 -42.97 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.43 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.39 -46.42 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.931 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mtp -59.1 -41.0 87.08 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.54 -41.58 97.83 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.8 mt -63.77 -43.27 96.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.235 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.41 HG12 ' HD1' ' A' ' 80' ' ' HIS . 96.7 mt -63.46 -44.77 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.786 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.52 -44.17 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.99 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -61.73 -45.72 92.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.789 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 76.6 p -60.55 -44.29 96.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.977 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.35 98.39 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -62.91 -42.01 99.64 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.99 79.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.859 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -60.5 -47.21 87.15 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.536 ' OG ' ' NH2' ' D' ' 317' ' ' ARG . 49.9 m -53.67 -44.6 69.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.23 -42.26 99.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.654 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.95 75.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -60.16 -42.55 95.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.588 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.45 89.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.733 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.57 84.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.727 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.22 -44.77 96.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.451 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.96 -42.38 76.15 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.74 -41.45 95.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.746 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.46 93.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.743 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.81 -28.76 69.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.169 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -80.72 -5.06 56.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.449 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.66 13.61 75.2 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.59 79.88 3.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.793 0.33 . . . . 0.0 110.3 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -65.28 -35.39 80.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.7 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -50.48 70.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.085 0.469 . . . . 0.0 110.783 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.71 80.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.43 79.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.599 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.29 -42.92 96.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.595 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.8 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.01 -41.3 95.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.465 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 99.0 mmm -63.44 -39.93 95.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.67 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.84 -44.49 95.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.994 0.426 . . . . 0.0 110.544 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.94 -40.93 97.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.277 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.5 t -61.64 -45.6 93.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -61.15 -42.25 98.21 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.313 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.94 -43.69 98.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.252 0.549 . . . . 0.0 110.627 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.4 99.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.218 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.06 -39.97 90.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.669 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.09 -42.58 94.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.238 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.05 -40.3 94.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.224 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.06 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.479 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.63 -39.01 89.78 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.41 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.2 mt -60.57 -43.56 97.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.4 t -66.1 -43.5 92.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.076 0.465 . . . . 0.0 110.063 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 56' ' ' THR . 0.8 OUTLIER -61.42 -43.71 98.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.236 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.598 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 19.1 m -59.93 -42.2 93.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -59.6 -34.44 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.489 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.92 -60.66 2.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.473 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 73.8 mt -56.81 -35.72 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.859 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.524 -179.657 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 120.95 0.405 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.477 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 85.6 p -134.21 167.58 20.43 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -56.93 -44.96 83.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.701 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.98 -48.18 87.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.865 0.364 . . . . 0.0 110.562 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.477 ' H ' ' HG ' ' A' ' 71' ' ' SER . 90.0 mt -63.27 -40.77 98.33 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.22 -47.66 89.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.094 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.89 -44.38 94.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.822 0.344 . . . . 0.0 110.328 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.67 -45.46 86.61 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.676 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.46 -40.57 97.06 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.181 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.8 tp -57.15 -46.82 82.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.41 ' HD1' HG12 ' A' ' 12' ' ' ILE . 50.5 m170 -67.49 -46.89 71.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.737 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.62 -45.33 94.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.806 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.98 -43.53 98.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.214 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 p -63.06 -47.02 84.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.089 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 m -61.64 -48.63 79.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.464 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.98 -48.31 80.38 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.676 0.274 . . . . 0.0 110.519 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.49 -44.79 96.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.0 110.064 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.08 -47.59 82.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.825 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -58.95 -44.78 91.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.082 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.89 -43.79 98.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.042 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.91 -42.53 94.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.127 0.489 . . . . 0.0 109.904 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.0 mt -60.47 -41.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.279 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 16.0 m -57.09 -45.75 83.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.026 0.441 . . . . 0.0 109.845 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.75 -43.67 95.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.664 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.521 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.5 mt -59.66 -44.04 93.73 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.405 HD12 HG23 ' A' ' 95' ' ' ILE . 91.8 mt -61.61 -43.56 97.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.525 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -61.0 -39.78 91.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.125 0.488 . . . . 0.0 109.772 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.33 -41.47 98.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.822 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 61.7 m80 -60.4 -40.01 89.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.54 -39.56 94.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.252 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.476 ' HZ3' ' CD2' ' B' ' 98' ' ' HIS . 98.0 mttt -64.04 -39.23 93.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.19 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.387 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.665 0.269 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.72 -45.66 88.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 110.297 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.48 -36.83 85.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.241 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.81 -42.68 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 96.4 t -60.78 -46.2 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.881 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.0 mtp -59.04 -41.28 87.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -41.75 97.77 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 mt -63.38 -43.5 97.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 0.0 110.37 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.408 HD13 HG22 ' B' ' 12' ' ' ILE . 96.4 mt -63.45 -44.68 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.679 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.54 -44.33 98.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.926 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -61.47 -45.66 93.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.833 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 79.5 p -60.73 -44.22 96.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.129 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.12 98.83 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.034 -1.227 . . . . 0.0 110.034 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.13 -42.41 99.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.32 -49.08 78.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.924 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -60.55 -46.94 88.33 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.7 m -54.04 -44.28 70.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.39 -42.71 98.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.726 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.96 75.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.78 -42.8 94.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.688 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.19 -41.81 89.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.671 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.14 83.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.578 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.86 -45.0 96.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.323 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.92 -42.06 75.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.8 -41.52 95.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.873 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.35 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.769 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.61 -29.12 69.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.029 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -80.55 -5.1 56.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.76 13.5 75.17 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.24 79.29 3.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.778 0.323 . . . . 0.0 110.323 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -65.18 -35.57 81.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.605 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -50.82 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.986 0.422 . . . . 0.0 110.782 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.99 81.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.419 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.5 79.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.39 -42.7 96.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.561 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.59 92.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.72 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.18 -41.28 94.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.561 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.9 mmm -63.34 -40.43 97.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.595 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.45 -44.73 95.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.43 -41.51 98.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.31 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -61.17 -46.33 90.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.489 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.44 -42.45 96.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.287 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.85 -43.72 97.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.24 99.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.184 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.98 -39.99 90.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.766 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 53.2 t-20 -60.24 -42.38 95.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.334 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.27 -40.09 93.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.117 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -45.04 78.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.461 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.59 -38.82 88.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.278 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.85 -43.38 98.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.344 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.98 -43.56 92.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.038 0.447 . . . . 0.0 110.057 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.602 ' OE1' ' N ' ' B' ' 56' ' ' THR . 0.8 OUTLIER -61.51 -43.64 98.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.248 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.602 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 19.6 m -60.09 -42.16 94.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.925 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -59.7 -34.23 72.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 0.0 110.523 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.3 mt -71.07 -60.64 2.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.488 ' CD1' ' NE2' ' B' ' 55' ' ' GLN . 72.5 mt -56.85 -35.76 47.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.817 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.598 -179.796 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.867 0.365 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.488 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 93.5 p -133.86 169.39 17.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.557 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.53 -44.85 93.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.552 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.86 -47.13 94.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.629 -178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.488 ' H ' ' HG ' ' B' ' 71' ' ' SER . 90.8 mt -63.86 -40.42 96.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.51 -47.36 91.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.275 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.48 -44.1 96.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.366 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.09 88.11 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.838 0.352 . . . . 0.0 110.408 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.77 -40.31 96.9 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.229 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 47.1 tp -57.55 -46.51 83.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.373 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.406 ' HD1' HG12 ' B' ' 12' ' ' ILE . 50.2 m170 -67.87 -46.81 70.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.725 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.68 -45.3 94.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.862 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.77 -43.6 98.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.26 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.8 p -63.06 -46.96 85.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.157 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 66.3 m -61.55 -48.73 79.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.83 -48.33 80.06 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.52 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.7 -44.28 97.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.095 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.75 82.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.918 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -58.69 -44.78 90.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.234 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -61.66 -44.41 97.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.181 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 73.9 mt -64.38 -42.55 96.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.071 0.462 . . . . 0.0 110.014 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 76.9 mt -60.47 -41.88 89.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.255 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.561 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 15.2 m -57.22 -45.85 83.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.085 0.469 . . . . 0.0 109.853 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.34 -44.19 95.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.511 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.517 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.5 mt -59.48 -44.03 93.15 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.59 -43.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.498 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.26 -40.04 92.58 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.15 -41.68 98.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.843 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 61.6 m80 -59.92 -40.12 87.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.749 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.53 -39.66 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.146 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . 0.477 ' HZ3' ' CD2' ' C' ' 98' ' ' HIS . 97.9 mttt -64.17 -39.23 93.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.173 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.36 179.75 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 120.594 0.235 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -63.66 -45.69 88.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.823 0.344 . . . . 0.0 110.417 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.3 -37.03 85.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.302 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.39 -42.87 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.315 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.6 -46.35 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.953 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -58.84 -41.41 86.87 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -42.12 98.15 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 32.6 mt -63.23 -43.43 98.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.383 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.419 HG22 HD13 ' C' ' 12' ' ' ILE . 96.3 mt -63.46 -44.52 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.676 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.58 -44.57 98.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.079 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -61.27 -45.86 92.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.758 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.0 p -60.38 -44.46 95.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.139 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.12 -43.26 98.97 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.0 -42.18 99.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.8 -48.83 79.9 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -60.82 -46.63 89.81 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -54.3 -44.35 71.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.45 -42.01 98.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.71 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.43 -50.27 74.6 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.71 -42.68 93.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.55 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.68 -41.26 90.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.76 84.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.622 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.15 -44.97 96.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.413 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -55.96 -42.09 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.77 -41.76 96.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.902 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.24 92.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.837 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.69 -29.23 69.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.067 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.21 -5.36 55.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.495 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.98 13.68 74.12 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.68 80.04 3.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.799 0.333 . . . . 0.0 110.282 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -65.91 -35.13 79.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.543 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.53 70.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.08 0.466 . . . . 0.0 110.732 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.59 83.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.332 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.1 77.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.434 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.597 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.96 92.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.719 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -64.95 -41.38 95.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.581 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 99.0 mmm -63.19 -40.34 97.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.667 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.63 -44.57 95.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.471 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.6 -41.41 98.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.346 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 38.2 t -61.26 -46.04 92.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.6 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.82 -42.13 97.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.404 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -61.13 -43.66 98.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.32 0.581 . . . . 0.0 110.492 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.58 99.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.373 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.88 -39.82 91.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.788 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.24 -42.48 95.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.326 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.11 -40.47 94.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.013 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.63 -45.28 79.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.441 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.63 -38.53 87.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.31 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.21 -43.31 99.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.255 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.81 -43.86 93.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.028 0.442 . . . . 0.0 109.997 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.6 ' OE1' ' N ' ' C' ' 56' ' ' THR . 0.8 OUTLIER -61.32 -44.09 97.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.301 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' THR . . . . . 0.6 ' N ' ' OE1' ' C' ' 55' ' ' GLN . 19.3 m -59.6 -42.0 91.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.107 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -60.07 -34.08 72.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.929 0.395 . . . . 0.0 110.468 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.73 -60.6 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.79 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.476 ' CD1' ' NE2' ' C' ' 55' ' ' GLN . 71.8 mt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.869 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' SER . . . . . 0.458 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 91.2 p . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 121.016 0.436 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.71 -43.78 98.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.712 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 72.5 t -64.38 -47.05 91.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 130.098 3.359 . . . . 0.0 110.658 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.458 ' H ' ' HG ' ' C' ' 71' ' ' SER . 93.6 mt -66.29 -40.35 89.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.026 178.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.5 -48.11 88.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.17 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.11 -44.48 94.84 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.325 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.12 88.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.895 0.378 . . . . 0.0 110.436 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.82 -40.52 97.64 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.242 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 47.7 tp -57.22 -46.71 82.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.543 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.409 ' HD1' HG12 ' C' ' 12' ' ' ILE . 49.9 m170 -67.75 -46.85 70.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.781 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.5 -45.36 94.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.811 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.1 mmm -61.89 -43.09 99.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.371 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.7 p -63.55 -46.78 84.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.165 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -61.84 -48.42 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.95 -48.6 79.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 110.535 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.41 -44.74 96.61 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.191 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.02 80.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.954 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -58.46 -45.2 89.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.306 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.21 -44.29 97.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.19 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.4 mt -64.59 -42.91 95.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.183 0.516 . . . . 0.0 109.996 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . 0.418 HD13 HG23 ' C' ' 91' ' ' ILE . 77.7 mt -60.05 -41.77 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.438 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 92' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 14.4 m -57.36 -45.66 84.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.049 0.452 . . . . 0.0 109.978 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.73 -43.81 95.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.508 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.51 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 86.3 mt -59.54 -43.84 93.38 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.9 -43.07 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.63 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -61.26 -40.14 92.96 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.05 -41.55 98.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.881 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.51 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 62.1 m80 -60.23 -40.32 89.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.48 -39.63 94.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.166 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -39.35 94.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.213 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.323 179.921 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.506 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.701 0 CA-C-O 121.956 0.884 . . . . 0.0 108.955 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.469 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.0 t80 -139.78 143.04 36.71 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.29 38.48 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.908 -1.12 . . . . 0.0 109.517 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.14 149.21 28.53 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.32 18.97 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.992 -1.067 . . . . 0.0 108.342 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.8 144.37 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.65 136.59 36.96 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 122.137 0.97 . . . . 0.0 110.127 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.99 114.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.83 -4.25 19.48 Favored 'General case' 0 C--N 1.264 -3.121 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.911 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.52 141.77 85.73 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 119.722 -1.861 . . . . 0.0 110.648 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.42 -47.68 12.7 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 124.828 3.685 . . . . 0.0 114.127 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -102.16 27.49 6.63 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 116.085 -2.246 . . . . 0.0 108.821 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.47 -142.71 46.8 Favored Glycine 0 N--CA 1.496 2.685 0 C-N-CA 117.766 -2.159 . . . . 0.0 109.547 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.3 tp -88.23 74.27 8.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.826 -1.396 . . . . 0.0 109.492 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.585 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.8 p80 -67.72 176.6 2.4 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 117.889 -1.524 . . . . 0.0 112.078 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 37.2 p -39.82 -68.22 0.18 Allowed 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 117.252 2.316 . . . . 0.0 117.252 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.442 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 7.2 tmm_? -56.92 -50.65 86.91 Favored Pre-proline 0 N--CA 1.492 1.672 0 C-N-CA 120.196 -0.602 . . . . 0.0 112.552 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.34 -32.23 61.51 Favored 'Trans proline' 0 C--N 1.318 -1.034 0 CA-C-N 119.525 0.866 . . . . 0.0 111.48 -178.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.86 86.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.22 -0.925 . . . . 0.0 109.474 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.95 -39.65 72.48 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -64.01 -39.4 94.03 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 117.987 -1.485 . . . . 0.0 109.462 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.552 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.63 -45.35 93.25 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 122.609 1.195 . . . . 0.0 108.723 -177.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.57 -42.29 95.33 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.663 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . 0.436 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 96.9 mttt -63.95 -40.18 95.84 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.273 -0.892 . . . . 0.0 109.761 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.455 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.84 -39.69 79.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.4 -0.812 . . . . 0.0 109.578 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.9 91.84 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.672 -1.268 . . . . 0.0 109.482 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.39 -16.2 44.14 Favored 'General case' 0 N--CA 1.511 2.586 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.51 86.16 Favored Glycine 0 N--CA 1.478 1.439 0 O-C-N 119.935 -1.728 . . . . 0.0 109.312 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.45 143.38 32.78 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.22 -1.753 . . . . 0.0 110.01 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.9 p -75.61 -30.08 59.44 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.262 -0.899 . . . . 0.0 112.318 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.79 158.55 10.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.757 -1.839 . . . . 0.0 112.721 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.583 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.35 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 102.867 -3.012 . . . . 0.0 102.867 171.2 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.7 136.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 CA-C-O 122.186 0.994 . . . . 0.0 109.286 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.411 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.9 m -124.93 143.2 51.0 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-O 123.083 1.42 . . . . 0.0 109.967 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.411 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.06 129.94 61.41 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.732 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 173.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.8 m -127.44 119.5 26.26 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.907 -1.121 . . . . 0.0 108.946 -178.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.2 t -122.51 122.56 39.21 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.576 -0.703 . . . . 0.0 109.904 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.81 38.92 24.5 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.861 -1.149 . . . . 0.0 112.737 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.01 83.54 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 119.97 -1.706 . . . . 0.0 112.484 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.87 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.204 -2.147 . . . . 0.0 105.204 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.83 158.53 33.2 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.751 1.738 . . . . 0.0 112.446 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.38 31.4 Favored 'General case' 0 C--N 1.278 -2.528 0 CA-C-N 112.495 -2.139 . . . . 0.0 108.565 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.665 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.59 135.9 48.81 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 173.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.89 -6.87 48.04 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.61 -1.306 . . . . 0.0 110.754 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.665 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.45 12.94 31.56 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.642 -1.286 . . . . 0.0 109.41 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.3 t -133.1 104.16 6.38 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 122.2 1.0 . . . . 0.0 110.143 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.16 -37.93 72.81 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.025 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.87 -51.39 70.21 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.57 -1.331 . . . . 0.0 113.038 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.01 -32.46 70.63 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 119.606 -1.933 . . . . 0.0 109.234 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.86 -33.75 75.92 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.876 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -67.64 -10.42 51.97 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.641 -0.662 . . . . 0.0 109.994 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.1 p -89.8 -7.75 53.67 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 118.082 -1.447 . . . . 0.0 110.939 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.32 159.27 15.34 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.257 -0.902 . . . . 0.0 110.222 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.63 104.85 2.96 Favored Glycine 0 N--CA 1.486 2.006 0 N-CA-C 106.91 -2.476 . . . . 0.0 106.91 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.7 mt -119.59 47.29 1.74 Allowed 'General case' 0 C--N 1.309 -1.189 0 O-C-N 120.653 -1.499 . . . . 0.0 107.466 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 4.5 p -81.39 172.51 13.46 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.307 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.65 140.88 57.29 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.941 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.43 -3.1 78.88 Favored Glycine 0 N--CA 1.501 3.001 0 C-N-CA 120.052 -1.071 . . . . 0.0 111.349 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.3 m -84.48 135.99 34.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.959 -1.318 . . . . 0.0 110.543 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.1 t -96.55 123.69 48.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.13 160.15 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.278 0 C-N-CA 117.379 -1.728 . . . . 0.0 110.661 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.9 m -108.93 128.36 54.87 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.5 -1.375 . . . . 0.0 107.55 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.78 121.39 60.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 176.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.62 147.25 50.71 Favored 'General case' 0 C--N 1.285 -2.206 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 -179.57 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.39 47.17 Favored 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 118.501 -1.28 . . . . 0.0 109.741 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.506 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.75 6.41 Favored 'General case' 0 C--N 1.287 -2.127 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.075 178.179 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.24 40.14 Favored Glycine 0 C--N 1.295 -1.695 0 C-N-CA 117.995 -2.05 . . . . 0.0 110.382 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.46 -40.56 82.98 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.405 -0.898 . . . . 0.0 112.175 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.08 36.86 3.52 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 115.847 -2.341 . . . . 0.0 108.561 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.44 -33.48 65.91 Favored 'General case' 0 N--CA 1.522 3.137 0 N-CA-C 116.872 2.175 . . . . 0.0 116.872 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.479 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.64 27.44 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.615 -1.928 . . . . 0.0 110.979 -176.584 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.768 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.77 97.91 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 178.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.49 77.67 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 117.469 -1.692 . . . . 0.0 109.992 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.78 -42.34 89.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 122.202 1.001 . . . . 0.0 109.255 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.85 -47.91 76.44 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-O 122.008 0.909 . . . . 0.0 108.704 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.768 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.87 -38.3 76.36 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.661 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.61 -28.63 58.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.418 -1.426 . . . . 0.0 110.87 -174.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.41 -39.51 71.53 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.451 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.11 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.455 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.29 -45.22 84.32 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.499 177.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.33 -37.39 85.42 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.882 -1.136 . . . . 0.0 111.541 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.8 61.64 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.181 -0.95 . . . . 0.0 110.276 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.91 -32.33 45.63 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.482 -0.762 . . . . 0.0 111.281 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.96 125.42 11.97 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 124.256 1.979 . . . . 0.0 112.937 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.911 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.204 -2.725 . . . . 0.0 110.073 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.456 -0.162 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -64.54 -48.09 76.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.893 0.378 . . . . 0.0 110.275 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -67.78 -35.66 79.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.295 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.51 -42.42 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.65 -44.68 97.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.94 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.7 mtp -59.95 -41.4 91.78 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.53 97.43 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.41 -42.62 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.2 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.403 HD12 HG21 ' A' ' 12' ' ' ILE . 90.7 mt -62.75 -44.23 99.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.733 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.436 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 84.5 mt -62.67 -44.04 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.008 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.29 -45.25 95.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.767 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.4 t -60.26 -44.65 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.996 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.97 -41.21 98.72 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' ' OG ' ' A' ' 20' ' ' SER . 91.5 mm-40 -62.75 -42.63 99.77 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -47.35 86.13 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.877 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.688 ' NH2' ' HG1' ' A' ' 83' ' ' THR . 41.9 ttm180 -61.03 -46.17 91.83 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.514 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.0 p -56.61 -42.56 78.98 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.34 -41.69 98.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.695 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.04 82.82 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -58.83 -41.92 88.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.575 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.87 87.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.779 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.8 91.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.723 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.27 -44.72 96.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.464 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.708 ' HZ3' HE21 ' A' ' 31' ' ' GLN . 66.0 tttm -55.41 -43.19 75.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -62.7 -41.96 99.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.778 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.05 94.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.713 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.67 -27.92 69.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.125 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.708 HE21 ' HZ3' ' A' ' 27' ' ' LYS . 86.9 mt-30 -80.21 -3.94 51.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.473 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.3 13.58 70.68 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.39 79.46 2.78 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.766 0.317 . . . . 0.0 110.242 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -65.03 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.618 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.86 77.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.45 . . . . 0.0 110.748 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.22 80.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.392 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.31 78.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.639 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.33 -44.29 95.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.638 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.57 98.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.47 -42.22 92.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.512 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.41 ' SD ' ' CD1' ' A' ' 95' ' ' ILE . 73.5 mtm -64.04 -41.52 97.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.547 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.43 -47.27 86.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 0.0 110.559 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.04 -41.93 97.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.247 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.2 m -60.78 -46.71 89.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.531 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -60.96 -42.73 98.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.319 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.58 -42.65 99.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.224 0.535 . . . . 0.0 110.646 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.21 -41.84 96.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.204 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.65 -40.38 92.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.667 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -61.35 -41.79 97.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.283 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.52 -40.05 92.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.215 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.1 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.486 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.63 -38.59 91.7 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.423 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.64 -43.94 97.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.327 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.39 -43.92 94.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.053 0.454 . . . . 0.0 109.968 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.452 ' CG ' HE21 ' A' ' 78' ' ' GLN . 67.8 tp60 -61.28 -41.84 97.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.243 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.1 m -58.77 -42.84 89.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.04 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.42 -36.64 84.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.509 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.72 -25.39 65.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.652 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.432 HG23 HD13 ' A' ' 59' ' ' ILE . 96.8 mt -92.14 -32.43 5.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.531 -179.799 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.929 0.395 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.8 p -132.26 165.08 24.98 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.9 mt -58.32 -42.25 86.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.65 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.9 t -63.56 -47.61 90.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.882 0.372 . . . . 0.0 110.603 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.33 -41.14 96.94 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.019 0.437 . . . . 0.0 110.827 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.81 -47.64 90.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.145 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -58.68 -44.39 90.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.839 0.352 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.01 95.26 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.665 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.452 HE21 ' CG ' ' A' ' 55' ' ' GLN . 89.5 mm-40 -62.94 -42.0 99.67 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.221 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.1 tp -58.32 -46.77 85.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.417 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -67.78 -48.77 65.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.679 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.47 -45.61 93.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.794 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -62.13 -44.01 97.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.147 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.688 ' HG1' ' NH2' ' A' ' 19' ' ' ARG . 22.1 p -63.76 -46.3 85.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.077 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.425 ' N ' HH21 ' A' ' 19' ' ' ARG . 46.7 t -62.61 -49.26 75.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.373 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.2 ttm -58.22 -47.46 83.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.483 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.8 -45.26 94.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.391 . . . . 0.0 110.091 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.56 84.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.837 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.1 -45.41 87.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.145 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.494 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.9 mt-10 -62.18 -42.67 99.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.123 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.22 -42.94 96.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.268 0.556 . . . . 0.0 109.911 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.419 HG23 HD11 ' A' ' 91' ' ' ILE . 79.0 mt -60.41 -41.57 87.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.328 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.5 m -57.15 -46.07 83.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.036 0.446 . . . . 0.0 109.931 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -62.54 -42.8 99.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.529 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.4 mt -58.81 -42.89 90.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.362 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.449 HG23 HD11 ' A' ' 95' ' ' ILE . 91.0 mt -61.73 -42.45 94.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.551 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -61.64 -39.1 90.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.701 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.99 -41.17 97.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.865 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -60.08 -38.72 83.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.35 -38.98 91.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.179 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.51 -38.22 90.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.186 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.421 179.514 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 120.579 0.228 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -64.42 -48.35 75.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.353 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -67.3 -36.14 80.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.225 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.31 -42.28 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.011 0.434 . . . . 0.0 110.375 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 78.5 t -60.77 -44.78 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.929 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.5 mtp -59.85 -41.27 91.09 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.79 -42.53 97.04 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.2 -42.47 99.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.801 0.334 . . . . 0.0 110.377 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.2 mt -63.11 -43.85 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.642 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.96 -44.11 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.941 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.21 -45.28 95.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.857 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.4 t -60.07 -45.03 94.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.04 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.43 98.96 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.53 ' O ' ' OG ' ' B' ' 20' ' ' SER . 91.6 mm-40 -62.44 -42.73 99.67 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 -47.62 84.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.943 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.705 ' NH2' ' HG1' ' B' ' 83' ' ' THR . 41.9 ttm180 -60.89 -45.73 93.43 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.53 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.3 p -57.0 -42.62 80.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.7 mt -62.27 -41.49 98.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.71 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.82 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.494 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.0 m-85 -58.87 -41.87 88.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.618 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.34 88.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.699 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.73 -44.98 90.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.621 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.17 -44.67 96.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.308 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.716 ' HZ3' HE21 ' B' ' 31' ' ' GLN . 66.1 tttm -55.75 -42.91 76.11 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.84 -41.76 99.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.863 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.39 94.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.725 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.2 -28.57 69.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.097 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.716 HE21 ' HZ3' ' B' ' 27' ' ' LYS . 86.9 mt-30 -79.72 -4.05 50.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.421 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.42 13.27 71.06 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.06 79.33 2.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.735 0.302 . . . . 0.0 110.321 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -65.16 -35.13 80.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.623 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.21 -49.3 76.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.051 0.453 . . . . 0.0 110.766 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.93 79.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.426 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.12 78.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.52 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.61 -44.4 96.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.492 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.69 98.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.658 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.6 -42.21 91.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.457 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.408 ' SD ' ' CD1' ' B' ' 95' ' ' ILE . 72.8 mtm -63.78 -41.62 97.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.545 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -61.49 -47.68 84.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.469 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.61 -41.74 98.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.297 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m -60.87 -46.98 88.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.471 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -60.82 -42.61 98.03 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.283 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.62 -42.76 99.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.264 0.554 . . . . 0.0 110.651 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.94 -42.35 97.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.136 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.37 -40.44 93.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.72 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.24 -41.95 97.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.366 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.28 -40.26 93.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.222 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.43 -44.37 78.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.482 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -63.4 -38.65 91.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.277 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -61.67 -44.2 97.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.334 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.13 -43.74 95.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.016 0.436 . . . . 0.0 110.007 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.458 ' CG ' HE21 ' B' ' 78' ' ' GLN . 67.3 tp60 -61.56 -41.55 97.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.238 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 96.1 m -58.97 -43.08 91.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.963 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.08 -37.18 86.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.843 0.354 . . . . 0.0 110.496 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.2 -25.52 66.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.446 HG23 HD13 ' B' ' 59' ' ' ILE . 96.9 mt -92.17 -32.69 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.768 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 -179.78 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.884 0.373 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 94.5 p -131.62 166.94 20.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.532 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.84 -41.85 96.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.483 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 49.4 t -62.74 -46.9 95.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.606 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.68 -40.86 96.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.99 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.77 -47.8 89.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.294 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -58.84 -44.53 90.96 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.306 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.24 95.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.88 0.372 . . . . 0.0 110.427 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.458 HE21 ' CG ' ' B' ' 55' ' ' GLN . 88.8 mm-40 -62.75 -41.93 99.43 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.25 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 49.2 tp -58.53 -46.5 86.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.378 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -67.82 -48.99 64.67 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.729 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.14 -45.68 93.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.05 -44.18 97.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.705 ' HG1' ' NH2' ' B' ' 19' ' ' ARG . 21.8 p -63.52 -46.47 85.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.104 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.439 ' N ' HH21 ' B' ' 19' ' ' ARG . 46.8 t -62.32 -49.49 75.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.581 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 34.1 ttm -57.9 -47.41 82.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.471 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.11 -44.79 95.88 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.159 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.79 -47.4 85.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.843 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.16 -45.51 87.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.267 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.489 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.2 mt-10 -61.67 -43.18 99.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.172 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 70.3 mt -64.05 -42.86 96.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.16 0.505 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 79.1 mt -60.35 -41.53 87.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.183 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.8 m -57.18 -46.09 83.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.13 0.49 . . . . 0.0 109.871 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.65 -42.72 99.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.44 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 37.2 mt -58.84 -43.11 90.62 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.408 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 90.6 mt -61.57 -42.77 95.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.511 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -60.86 -39.69 90.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.92 -41.3 97.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.824 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -59.73 -39.06 83.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.74 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.85 -39.37 91.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.14 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.38 -38.15 90.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.204 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.342 179.541 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -64.24 -48.47 75.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.828 0.346 . . . . 0.0 110.411 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.21 -36.28 81.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.301 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.1 -42.35 95.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.76 -44.89 98.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.976 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.5 mtp -59.83 -40.99 90.34 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.35 96.79 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.29 -42.64 99.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.414 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.85 -43.89 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.761 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.86 -44.1 99.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.047 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.19 -45.78 93.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.778 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -59.7 -44.69 93.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.162 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.65 -41.99 98.88 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . 0.506 ' O ' ' OG ' ' C' ' 20' ' ' SER . 91.4 mm-40 -62.33 -42.58 99.49 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.66 84.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.706 ' NH2' ' HG1' ' C' ' 83' ' ' THR . 41.7 ttm180 -60.95 -45.55 94.27 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.3 p -57.37 -42.47 82.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.11 -41.59 98.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.721 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.63 84.62 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.9 m-85 -59.3 -41.82 89.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.501 178.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.32 88.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.723 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.69 -44.86 90.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.609 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.4 -44.8 96.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.419 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . 0.738 ' HZ3' HE21 ' C' ' 31' ' ' GLN . 65.9 tttm -55.33 -43.03 74.58 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -62.77 -41.73 99.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.926 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.91 95.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.778 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -61.81 -28.16 69.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.083 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.738 HE21 ' HZ3' ' C' ' 27' ' ' LYS . 86.9 mt-30 -79.88 -4.24 51.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.407 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.65 13.25 70.46 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.25 79.27 2.8 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -65.04 -35.4 81.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.578 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -49.27 76.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.076 0.465 . . . . 0.0 110.672 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.11 80.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.59 -48.36 77.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.49 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.11 -44.57 94.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.607 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.81 98.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.46 -42.53 92.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.051 0.453 . . . . 0.0 110.57 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.414 ' SD ' ' CD1' ' C' ' 95' ' ' ILE . 73.1 mtm -63.56 -41.64 98.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.59 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.51 -47.62 84.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.387 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -63.64 -41.69 98.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.346 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -61.05 -46.75 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.505 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.86 -42.68 98.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.357 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.49 -43.01 99.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.332 0.587 . . . . 0.0 110.564 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.45 97.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.328 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.22 -40.51 94.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.725 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.46 -41.59 97.47 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.343 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.54 -40.14 92.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.031 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.45 78.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.454 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.47 -38.34 90.76 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.357 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.23 -43.77 98.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.251 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 62.6 t -65.34 -43.77 94.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.979 0.419 . . . . 0.0 109.961 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.461 ' CG ' HE21 ' C' ' 78' ' ' GLN . 67.7 tp60 -61.52 -41.96 98.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.265 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 97.8 m -58.71 -42.76 89.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.1 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -63.19 -37.39 87.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.942 0.401 . . . . 0.0 110.5 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.85 -25.51 66.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.786 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.812 -179.649 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 97.3 p . . . . . 0 C--O 1.227 -0.127 0 CA-C-O 121.044 0.45 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.62 -41.6 99.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.646 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 49.2 t -63.3 -47.53 91.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 130.109 3.364 . . . . 0.0 110.652 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 98.9 mt -66.65 -40.52 88.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.15 -48.25 88.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.266 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -58.79 -44.26 90.69 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.325 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.68 94.78 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.875 0.369 . . . . 0.0 110.44 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . 0.461 HE21 ' CG ' ' C' ' 55' ' ' GLN . 88.6 mm-40 -63.26 -41.67 99.06 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.202 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 48.7 tp -58.75 -46.49 87.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.52 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -67.85 -48.79 65.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.668 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.51 -45.32 94.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.785 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.23 -44.16 97.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.348 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' THR . . . . . 0.706 ' HG1' ' NH2' ' C' ' 19' ' ' ARG . 22.2 p -63.82 -46.27 85.86 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.14 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.433 ' N ' HH21 ' C' ' 19' ' ' ARG . 44.7 t -62.43 -49.12 76.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.631 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 34.1 ttm -58.3 -47.41 83.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.506 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.06 -45.09 95.09 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.136 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.36 85.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.954 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.25 -45.31 88.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.7 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.192 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.9 -42.98 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.162 0.506 . . . . 0.0 110.04 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . 0.424 HD11 HG23 ' C' ' 91' ' ' ILE . 78.7 mt -60.31 -41.45 87.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.353 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 77.4 m -57.49 -45.68 84.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.03 0.443 . . . . 0.0 109.972 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.93 -42.42 99.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.484 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 36.8 mt -59.1 -42.91 91.63 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.414 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 90.2 mt -61.72 -42.55 94.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.545 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.14 -39.37 89.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.781 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.99 -41.35 97.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.91 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -59.76 -39.0 83.39 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.95 -39.26 91.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.089 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.37 -38.24 90.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.204 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.376 179.602 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.512 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 121.869 0.842 . . . . 0.0 109.005 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.8 143.0 36.65 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.36 38.7 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.0 -1.062 . . . . 0.0 109.507 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.15 28.46 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.93 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.993 -1.067 . . . . 0.0 108.389 178.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.31 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.64 136.64 36.89 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 122.134 0.968 . . . . 0.0 110.135 177.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -85.01 114.32 25.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.91 -4.22 19.38 Favored 'General case' 0 C--N 1.265 -3.083 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.904 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.6 141.82 85.57 Favored Pre-proline 0 N--CA 1.5 2.06 0 O-C-N 119.674 -1.892 . . . . 0.0 110.579 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.58 -47.55 13.22 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 124.739 3.626 . . . . 0.0 114.102 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.454 HD22 ' CE ' ' C' ' 85' ' ' MET . 99.6 m-20 -102.21 27.55 6.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 116.052 -2.259 . . . . 0.0 108.728 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.64 -143.82 48.73 Favored Glycine 0 N--CA 1.496 2.688 0 C-N-CA 117.738 -2.172 . . . . 0.0 109.588 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.2 tp -99.76 80.68 2.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.934 -1.333 . . . . 0.0 109.534 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.481 ' HD1' ' HG1' ' D' ' 316' ' ' THR . 3.2 p80 -83.92 174.92 9.96 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 117.789 -1.564 . . . . 0.0 112.186 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.481 ' HG1' ' HD1' ' D' ' 315' ' ' HIS . 60.5 p -29.86 -68.82 0.07 Allowed 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 -176.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.685 ' NH2' ' NE2' ' A' ' 17' ' ' GLN . 3.3 ttt-85 -48.64 -60.9 3.8 Favored Pre-proline 0 N--CA 1.493 1.69 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.578 -177.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.59 -32.25 58.7 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.369 2.046 . . . . 0.0 111.481 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.86 86.75 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.241 -0.912 . . . . 0.0 109.457 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.81 -39.77 72.88 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -63.97 -39.31 93.85 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.937 -1.505 . . . . 0.0 109.529 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.545 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.78 -45.29 93.37 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 122.61 1.195 . . . . 0.0 108.702 -177.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.62 -42.28 95.4 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.262 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.658 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.264 -0.898 . . . . 0.0 109.761 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.7 80.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.509 -0.744 . . . . 0.0 109.565 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.04 91.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.581 -1.324 . . . . 0.0 109.36 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.35 -16.14 43.11 Favored 'General case' 0 N--CA 1.512 2.628 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.91 -10.61 86.08 Favored Glycine 0 N--CA 1.479 1.55 0 O-C-N 119.937 -1.727 . . . . 0.0 109.32 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.404 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.33 32.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.329 -1.689 . . . . 0.0 109.996 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.53 -30.11 59.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.228 -0.92 . . . . 0.0 112.395 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.74 158.6 10.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 119.843 -1.786 . . . . 0.0 112.779 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.99 130.24 35.32 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 102.836 -3.024 . . . . 0.0 102.836 171.229 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.6 60.32 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.393 0 CA-C-O 122.252 1.025 . . . . 0.0 109.318 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.401 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.7 m -124.92 143.21 50.98 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 123.107 1.432 . . . . 0.0 109.942 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.401 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.13 129.94 61.52 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 173.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 68.5 m -127.43 119.58 26.46 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.928 -1.108 . . . . 0.0 108.923 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.55 122.64 39.36 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 119.946 -0.701 . . . . 0.0 109.864 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 38.92 24.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.964 -1.085 . . . . 0.0 112.816 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 10.94 83.56 Favored Glycine 0 N--CA 1.502 3.057 0 O-C-N 119.939 -1.725 . . . . 0.0 112.503 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.81 136.28 54.53 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.83 158.53 33.18 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-O 123.771 1.748 . . . . 0.0 112.432 -176.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.3 31.26 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 112.463 -2.153 . . . . 0.0 108.56 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.662 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.5 135.99 49.03 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 173.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.04 -6.75 47.59 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.707 -1.246 . . . . 0.0 110.734 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.662 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.49 12.95 31.59 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.634 -1.291 . . . . 0.0 109.354 -177.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.4 t -133.04 104.08 6.35 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 122.094 0.95 . . . . 0.0 110.132 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.18 -37.99 72.95 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.989 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -58.76 -51.37 70.26 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.552 -1.343 . . . . 0.0 113.156 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.38 70.4 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 119.592 -1.943 . . . . 0.0 109.211 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.79 -33.82 76.0 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.895 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.54 -10.54 52.71 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.583 -0.698 . . . . 0.0 109.966 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.1 p -89.76 -7.72 53.82 Favored 'General case' 0 N--CA 1.502 2.171 0 C-N-CA 118.098 -1.441 . . . . 0.0 110.947 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.2 mt -93.39 159.25 15.34 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.197 -0.939 . . . . 0.0 110.113 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 106.906 -2.477 . . . . 0.0 106.906 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.54 47.45 1.71 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.621 -1.517 . . . . 0.0 107.415 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 80.6 p -81.46 172.53 13.4 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 118.811 -1.155 . . . . 0.0 109.175 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.69 140.93 57.31 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.812 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.18 79.0 Favored Glycine 0 N--CA 1.5 2.955 0 C-N-CA 120.0 -1.095 . . . . 0.0 111.379 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.48 135.85 34.07 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.875 -1.368 . . . . 0.0 110.591 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.46 123.68 48.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.12 160.06 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 C-N-CA 117.438 -1.705 . . . . 0.0 110.637 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 90.0 m -108.85 128.38 54.85 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.493 -1.38 . . . . 0.0 107.624 175.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.79 121.36 60.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.405 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.64 147.28 50.72 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -179.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.17 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 118.576 -1.25 . . . . 0.0 109.769 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.78 6.41 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 118.574 -1.251 . . . . 0.0 108.065 178.185 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.34 40.15 Favored Glycine 0 C--N 1.296 -1.687 0 C-N-CA 118.031 -2.033 . . . . 0.0 110.374 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.59 82.49 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.357 -0.922 . . . . 0.0 112.26 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.02 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 115.899 -2.32 . . . . 0.0 108.57 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.55 65.81 Favored 'General case' 0 N--CA 1.522 3.173 0 N-CA-C 116.855 2.168 . . . . 0.0 116.855 -174.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.469 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.89 -45.59 27.56 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 119.578 -1.951 . . . . 0.0 111.003 -176.549 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.783 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.58 -40.7 97.62 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.43 77.87 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 117.441 -1.704 . . . . 0.0 110.035 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.87 -42.29 88.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 CA-C-O 122.162 0.982 . . . . 0.0 109.203 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -55.76 -48.0 76.02 Favored 'General case' 0 C--N 1.285 -2.204 0 CA-C-O 122.091 0.948 . . . . 0.0 108.74 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.783 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.78 -38.32 76.67 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.733 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.545 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.6 mt -75.6 -28.6 58.94 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.421 -1.425 . . . . 0.0 110.897 -174.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.57 71.03 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.17 63.55 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.17 84.5 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 118.998 -1.081 . . . . 0.0 110.53 177.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.38 -37.42 85.66 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.864 -1.147 . . . . 0.0 111.506 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.83 -31.81 61.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.144 -0.973 . . . . 0.0 110.282 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.92 -32.26 45.59 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.472 -0.767 . . . . 0.0 111.315 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.14 125.52 12.5 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 124.392 2.044 . . . . 0.0 112.803 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.904 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.5 tt0 . . . . . 0 C--N 1.277 -2.548 0 CA-C-N 111.131 -2.758 . . . . 0.0 110.114 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -64.24 -47.66 78.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.212 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.94 -35.38 78.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.267 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.43 -42.98 98.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.392 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.94 -44.1 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.911 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.1 mtp -59.29 -41.44 88.98 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.39 -42.02 96.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.9 -42.9 99.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.236 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.07 -43.85 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.783 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.408 HD12 HG21 ' A' ' 13' ' ' ILE . 87.4 mt -64.03 -44.23 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.008 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -60.86 -47.1 87.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.816 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.2 m -59.5 -43.63 93.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.989 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.61 -42.1 98.9 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.685 ' NE2' ' NH2' ' D' ' 317' ' ' ARG . 91.7 mm-40 -62.95 -44.88 94.83 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.33 77.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.865 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.35 -45.58 92.98 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.592 ' OG ' ' NH1' ' D' ' 317' ' ' ARG . 67.0 m -55.71 -44.38 77.37 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.54 -41.48 97.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.675 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.41 -48.28 81.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -58.82 -42.13 88.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.638 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.94 85.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.775 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.39 86.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.702 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.23 -44.9 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.445 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.24 -43.87 74.98 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.2 mt-30 -61.81 -41.56 97.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.771 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.59 91.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.782 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.72 -28.35 69.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.118 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -80.82 -5.09 56.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.478 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.67 14.86 69.44 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -98.04 78.49 2.53 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.745 0.307 . . . . 0.0 110.265 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -65.42 -35.3 80.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.632 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.76 -50.62 70.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.043 0.449 . . . . 0.0 110.737 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.44 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -65.11 -35.7 81.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.35 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -47.1 84.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 41' ' ' MET . 88.8 tttt -59.58 -42.42 92.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.661 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.63 -37.38 87.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.5 mmm -64.77 -47.09 79.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.474 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.463 ' O ' ' OG ' ' A' ' 44' ' ' SER . 20.0 ptm -65.02 -37.49 87.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.655 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -61.72 -48.45 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.514 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.38 -39.89 95.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.209 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -62.19 -44.52 96.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.53 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.734 HH21 HH12 ' A' ' 88' ' ' ARG . 41.4 ttm180 -60.3 -42.34 95.3 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.45 -42.04 98.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.266 0.555 . . . . 0.0 110.598 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.59 99.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.213 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.23 -40.25 93.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.644 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.26 -41.34 96.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.223 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.54 -39.68 92.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.223 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.32 -43.25 82.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.13 -37.98 89.38 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.37 -43.84 98.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.331 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.54 -43.47 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.101 0.477 . . . . 0.0 110.077 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.83 -42.41 93.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.9 m -58.24 -42.13 85.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.988 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -40.22 97.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.962 0.41 . . . . 0.0 110.49 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.41 -28.5 69.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.721 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 83.8 mt -84.7 -30.4 6.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.803 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.538 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.944 0.402 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.53 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 83.2 p -129.33 162.21 28.49 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 178.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.5 mt -57.39 -45.31 84.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.528 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.08 -47.38 90.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.872 0.367 . . . . 0.0 110.53 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.53 ' H ' ' HG ' ' A' ' 71' ' ' SER . 90.0 mt -63.36 -41.51 98.83 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 56.4 t -59.71 -47.09 92.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.188 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.54 -45.4 91.9 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.331 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.01 93.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.695 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.514 ' O ' ' SD ' ' A' ' 82' ' ' MET . 86.3 mt-30 -63.15 -40.03 96.39 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.17 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.5 tp -58.36 -46.79 85.61 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.369 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -68.11 -47.32 68.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.3 -46.07 91.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.77 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.657 ' SD ' ' N ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -61.7 -43.73 98.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.24 -179.401 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 p -63.44 -48.14 78.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.133 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.6 m -61.44 -49.19 77.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.415 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 55.8 ttm -58.47 -47.08 85.22 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.512 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.02 -45.51 93.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.13 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.01 87.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.889 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.734 HH12 HH21 ' A' ' 45' ' ' ARG . 3.5 tmt_? -58.52 -45.36 88.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.143 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.471 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.8 mt-10 -62.23 -43.45 98.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.035 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.7 mt -64.02 -43.52 95.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.152 0.501 . . . . 0.0 109.879 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.42 -42.34 90.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.1 m -57.21 -45.83 83.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.003 0.43 . . . . 0.0 109.869 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.33 -43.18 98.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.433 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 81.7 mt -59.15 -43.07 92.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.38 -42.54 94.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.534 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.499 ' CD ' ' NZ ' ' B' ' 30' ' ' LYS . 84.1 tt0 -61.72 -39.45 91.56 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.44 -40.8 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.927 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 62.3 m80 -60.27 -39.77 88.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.793 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.46 -39.3 87.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.157 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.76 -36.44 83.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.249 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.42 179.755 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.543 0.211 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -63.91 -48.31 77.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.86 0.362 . . . . 0.0 110.369 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.29 -35.71 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.195 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.33 -43.28 98.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.346 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.62 -44.09 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.87 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -59.39 -41.31 89.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.5 -42.04 95.96 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.99 -42.66 99.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.823 0.344 . . . . 0.0 110.394 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.403 HD12 HG22 ' B' ' 12' ' ' ILE . 95.2 mt -63.17 -44.06 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.757 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.408 HD12 HG21 ' B' ' 13' ' ' ILE . 88.6 mt -63.8 -44.2 98.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.943 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -61.05 -46.92 88.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.849 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 62.3 m -59.54 -43.62 93.46 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.12 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.77 -42.08 98.68 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -62.9 -44.59 95.68 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.1 78.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.908 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.55 -45.59 93.32 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -55.8 -44.25 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.46 -41.88 97.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.747 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.46 79.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.471 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 19.9 m-85 -58.84 -41.84 87.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.708 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.82 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.765 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.73 87.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.629 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.96 -44.57 96.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.374 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.53 -44.05 76.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.449 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.0 mt-30 -61.55 -41.21 97.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.889 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.32 93.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.679 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.499 ' NZ ' ' CD ' ' A' ' 96' ' ' GLU . 67.4 mttm -61.9 -28.36 69.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.037 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -80.92 -5.3 57.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.06 14.59 69.0 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.76 78.49 2.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 110.349 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -65.51 -35.09 79.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.596 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.81 -50.28 71.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.793 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.449 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.42 -35.69 81.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.405 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.21 84.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.506 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' B' ' 41' ' ' MET . 88.8 tttt -59.53 -42.85 93.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.585 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.72 88.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.51 -46.84 81.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.471 ' O ' ' OG ' ' B' ' 44' ' ' SER . 20.0 ptm -65.12 -37.64 88.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.583 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.78 -48.54 80.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.513 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.03 -40.14 96.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.295 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' B' ' 41' ' ' MET . 77.7 p -61.99 -44.71 96.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.505 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.744 HH21 HH12 ' B' ' 88' ' ' ARG . 41.3 ttm180 -60.09 -42.49 94.77 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 59.2 mtt -61.26 -42.24 98.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.283 0.563 . . . . 0.0 110.627 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.63 99.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.145 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.15 -40.2 94.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.728 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.32 -41.38 96.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.396 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -65.33 -39.77 92.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.148 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.42 -43.31 81.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.399 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.98 -38.11 89.81 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.309 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.5 mt -61.34 -43.82 98.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.349 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.54 -43.53 94.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.116 0.484 . . . . 0.0 110.095 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.402 HE21 HD21 ' B' ' 74' ' ' LEU . 66.5 tp60 -59.71 -42.39 92.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.278 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 87.8 m -58.29 -42.13 85.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.989 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.16 -40.06 96.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.447 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.2 mt -62.56 -28.55 69.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 81.6 mt -84.64 -30.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.763 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.834 0.35 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.542 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 87.9 p -129.25 164.13 24.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.54 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.59 -45.33 92.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.607 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.99 -46.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.811 0.339 . . . . 0.0 110.674 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.542 ' H ' ' HG ' ' B' ' 71' ' ' SER . 91.5 mt -63.63 -41.13 98.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.117 0.485 . . . . 0.0 111.043 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.8 -47.17 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.294 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.496 ' OE2' ' OE1' ' A' ' 78' ' ' GLN . 38.8 tp10 -59.68 -45.49 91.92 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.266 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.37 93.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.936 0.398 . . . . 0.0 110.371 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.506 ' O ' ' SD ' ' B' ' 82' ' ' MET . 85.9 mt-30 -62.88 -40.1 96.49 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 45.1 tp -58.26 -47.07 84.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.365 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -67.74 -47.69 68.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.784 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.13 -45.81 93.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.881 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' MET . . . . . 0.649 ' N ' ' SD ' ' B' ' 82' ' ' MET . 0.0 OUTLIER -61.8 -43.79 98.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.234 -179.478 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 21.4 p -63.56 -47.82 79.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.2 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.1 m -61.12 -49.41 77.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 55.8 ttm -58.37 -47.44 83.81 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.473 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.84 -45.65 92.88 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.084 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.43 -47.4 85.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.891 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.744 HH12 HH21 ' B' ' 45' ' ' ARG . 3.5 tmt_? -58.0 -45.5 86.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.245 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.484 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.6 mt-10 -62.0 -43.55 98.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.132 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.98 -43.4 95.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.039 0.447 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.6 -41.79 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.186 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -57.82 -45.63 85.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.036 0.446 . . . . 0.0 109.888 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.4 -43.32 97.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.466 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.462 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 82.2 mt -59.09 -43.13 91.8 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.27 -42.86 95.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.505 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . 0.51 ' CD ' ' NZ ' ' C' ' 30' ' ' LYS . 84.6 tt0 -61.38 -39.6 91.24 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.35 -40.98 98.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.853 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 61.7 m80 -60.09 -39.64 86.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.826 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.47 -39.42 87.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.128 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.74 -36.19 83.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.209 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.342 179.806 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.08 -48.49 75.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.852 0.358 . . . . 0.0 110.374 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.17 -35.83 80.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.245 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.16 -43.01 98.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.361 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -60.91 -44.28 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.947 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.6 mtp -59.12 -41.46 88.24 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.48 -42.04 95.99 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.71 -42.87 99.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.381 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.95 -44.1 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.689 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.68 -44.37 98.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.001 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -60.92 -47.01 88.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.877 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 64.3 m -59.48 -43.76 93.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.09 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.77 -41.66 98.82 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -63.37 -44.58 94.36 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.33 77.4 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.35 -45.57 93.02 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -55.78 -44.32 77.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.64 -41.36 97.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.733 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.15 81.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.484 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 19.6 m-85 -59.0 -42.25 89.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.507 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.66 -39.88 85.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.665 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.97 86.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.567 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.81 -44.6 96.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.44 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.51 -43.5 75.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.1 mt-30 -62.3 -41.25 98.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.838 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.21 92.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.806 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . 0.51 ' NZ ' ' CD ' ' B' ' 96' ' ' GLU . 67.4 mttm -62.11 -28.34 69.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.136 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -80.72 -5.29 56.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.448 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.14 14.27 69.53 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.67 78.54 2.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.689 0.28 . . . . 0.0 110.262 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -65.47 -35.37 80.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.544 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -50.08 72.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.025 0.44 . . . . 0.0 110.654 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . 0.444 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.44 -35.92 82.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.429 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.09 84.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' C' ' 41' ' ' MET . 88.8 tttt -59.42 -43.16 93.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.61 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.42 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.743 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 86.4 mmm -64.56 -46.96 80.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.481 ' O ' ' OG ' ' C' ' 44' ' ' SER . 20.2 ptm -64.95 -38.05 89.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.58 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -61.6 -48.22 81.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.439 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -63.2 -40.29 97.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.331 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' C' ' 41' ' ' MET . 77.4 p -62.02 -44.22 97.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.593 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.763 HH21 HH12 ' C' ' 88' ' ' ARG . 41.3 ttm180 -60.45 -42.41 96.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.419 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 59.5 mtt -61.53 -42.03 98.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.333 0.587 . . . . 0.0 110.52 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.97 99.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.31 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.93 -40.42 95.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.723 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.25 -41.18 96.46 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.307 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.62 -39.44 91.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.066 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.81 -42.96 80.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.429 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.15 -37.93 89.18 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.356 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.76 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.343 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.88 -43.48 93.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.024 0.44 . . . . 0.0 109.959 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.422 HE21 HD21 ' C' ' 74' ' ' LEU . 66.4 tp60 -59.78 -42.5 93.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.222 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 95.0 m -58.18 -41.99 85.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.13 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.29 -40.1 96.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.49 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.12 -28.91 69.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.836 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' SER . . . . . 0.509 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 88.0 p . . . . . 0 C--O 1.226 -0.156 0 CA-C-O 121.054 0.454 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.36 -44.49 97.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.615 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.39 -47.27 90.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 130.08 3.352 . . . . 0.0 110.599 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.509 ' H ' ' HG ' ' C' ' 71' ' ' SER . 91.5 mt -65.55 -40.93 93.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.16 -47.56 91.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.215 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.496 ' OE2' ' OE1' ' B' ' 78' ' ' GLN . 39.3 tp10 -59.67 -45.32 92.43 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.323 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.69 91.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.889 0.376 . . . . 0.0 110.419 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . 0.503 ' O ' ' SD ' ' C' ' 82' ' ' MET . 86.1 mt-30 -62.53 -40.42 96.72 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.23 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 44.3 tp -57.94 -47.4 83.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.445 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -67.39 -47.71 69.53 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.762 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.09 -46.02 92.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.805 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' MET . . . . . 0.656 ' SD ' ' N ' ' C' ' 82' ' ' MET . 0.0 OUTLIER -61.58 -43.86 98.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.9 p -63.5 -47.88 79.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.156 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 66.4 m -61.46 -49.36 77.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.552 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 85' ' ' MET . . . . . 0.454 ' CE ' HD22 ' D' ' 312' ' ' ASN . 56.2 ttm -58.1 -47.31 83.62 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.547 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.04 -45.67 92.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.146 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.07 -47.6 84.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.88 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . 0.763 HH12 HH21 ' C' ' 45' ' ' ARG . 3.5 tmt_? -58.14 -45.25 87.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.23 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.93 -43.76 98.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.176 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.93 -43.32 96.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.168 0.509 . . . . 0.0 109.952 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . 0.406 HD12 HG22 ' C' ' 91' ' ' ILE . 82.6 mt -60.65 -41.96 90.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.439 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.51 -45.63 84.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.008 0.432 . . . . 0.0 109.937 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.69 -43.02 97.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.514 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.48 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 82.5 mt -59.22 -42.97 92.26 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.5 -42.68 94.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.5 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.49 -39.38 90.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.37 -41.28 98.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.81 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.48 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 62.2 m80 -59.9 -39.66 86.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.776 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.62 -39.41 88.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.045 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.58 -36.51 84.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.217 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.372 179.808 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.506 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.716 0 CA-C-O 121.869 0.842 . . . . 0.0 108.956 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.78 143.02 36.7 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.34 38.63 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.968 -1.082 . . . . 0.0 109.504 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.15 28.47 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.33 18.93 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.06 -1.025 . . . . 0.0 108.394 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.37 19.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.76 136.64 37.02 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 122.109 0.957 . . . . 0.0 110.146 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.95 114.3 24.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.2 p -106.79 -4.35 19.42 Favored 'General case' 0 C--N 1.266 -3.054 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.911 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.47 141.83 85.92 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.779 -1.825 . . . . 0.0 110.605 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -45.51 -47.66 12.93 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 124.746 3.631 . . . . 0.0 114.139 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -102.17 27.51 6.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 116.07 -2.252 . . . . 0.0 108.771 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.06 -142.07 48.37 Favored Glycine 0 N--CA 1.497 2.74 0 C-N-CA 117.674 -2.203 . . . . 0.0 109.562 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.2 tp -88.44 65.7 8.01 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.931 -1.335 . . . . 0.0 109.522 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.614 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.7 OUTLIER -54.77 177.66 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 117.863 -1.535 . . . . 0.0 112.163 -178.255 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.0 OUTLIER -45.23 -66.35 0.41 Allowed 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 117.271 2.323 . . . . 0.0 117.271 -176.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.557 ' N ' ' OG1' ' D' ' 316' ' ' THR . 7.3 tmm_? -56.11 -50.4 87.61 Favored Pre-proline 0 N--CA 1.493 1.678 0 C-N-CA 120.205 -0.598 . . . . 0.0 112.476 -177.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.8 Cg_endo -63.81 -32.26 67.31 Favored 'Trans proline' 0 C--N 1.317 -1.121 0 C-N-CA 120.955 1.104 . . . . 0.0 111.477 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.85 86.8 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.259 -0.901 . . . . 0.0 109.495 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.93 -39.7 72.51 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.93 -39.45 94.2 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 117.941 -1.504 . . . . 0.0 109.469 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.552 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.63 -45.34 93.29 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 122.533 1.158 . . . . 0.0 108.654 -177.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.67 -42.21 95.22 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.275 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.71 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.94 -40.22 95.95 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.247 -0.908 . . . . 0.0 109.74 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.453 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.66 80.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.835 . . . . 0.0 109.602 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.03 91.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.608 -1.307 . . . . 0.0 109.422 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.27 -16.25 43.55 Favored 'General case' 0 N--CA 1.512 2.637 0 O-C-N 121.311 -0.868 . . . . 0.0 113.3 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.57 86.13 Favored Glycine 0 N--CA 1.478 1.482 0 O-C-N 119.908 -1.745 . . . . 0.0 109.287 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.408 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.47 143.37 32.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.273 -1.722 . . . . 0.0 110.002 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.6 -30.1 59.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.23 -0.919 . . . . 0.0 112.315 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.48 10.24 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 119.791 -1.818 . . . . 0.0 112.829 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.83 130.24 35.48 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 171.223 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.73 136.65 60.19 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-O 122.25 1.024 . . . . 0.0 109.275 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.413 HG23 ' N ' ' D' ' 335' ' ' VAL . 94.0 m -124.98 143.24 51.0 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 123.058 1.409 . . . . 0.0 109.965 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.413 ' N ' HG23 ' D' ' 334' ' ' THR . 86.0 t -108.18 129.97 61.54 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.719 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 173.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.5 m -127.49 119.66 26.58 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.875 -1.141 . . . . 0.0 108.885 -178.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.58 122.58 39.2 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.594 -0.692 . . . . 0.0 109.872 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.69 38.97 24.24 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.896 -1.127 . . . . 0.0 112.773 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.99 83.54 Favored Glycine 0 N--CA 1.5 2.96 0 O-C-N 119.881 -1.762 . . . . 0.0 112.528 177.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.84 136.19 54.58 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.76 158.52 33.1 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-O 123.774 1.749 . . . . 0.0 112.411 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.38 Favored 'General case' 0 C--N 1.278 -2.54 0 CA-C-N 112.511 -2.131 . . . . 0.0 108.626 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.666 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.58 135.95 48.88 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 173.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.94 -6.84 47.96 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.726 -1.234 . . . . 0.0 110.733 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.666 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.51 13.05 31.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.715 -1.24 . . . . 0.0 109.361 -177.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.1 m -133.12 104.06 6.33 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.206 1.003 . . . . 0.0 110.13 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.16 -37.95 72.84 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.977 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -58.92 -51.26 70.81 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.609 -1.307 . . . . 0.0 113.072 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.14 -32.41 70.39 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 119.579 -1.951 . . . . 0.0 109.184 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.78 -33.74 75.8 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.905 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.75 -10.38 52.07 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.644 -0.66 . . . . 0.0 109.934 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.2 p -89.8 -7.69 53.8 Favored 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 118.112 -1.435 . . . . 0.0 110.954 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.37 159.34 15.3 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.244 -0.91 . . . . 0.0 110.119 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.76 104.94 2.98 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 106.887 -2.485 . . . . 0.0 106.887 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.5 mt -119.65 47.35 1.73 Allowed 'General case' 0 C--N 1.309 -1.175 0 O-C-N 120.721 -1.458 . . . . 0.0 107.394 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 62.1 p -81.35 172.55 13.44 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.269 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -60.7 140.88 57.35 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.329 -0.948 . . . . 0.0 109.864 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.08 79.01 Favored Glycine 0 N--CA 1.5 2.959 0 O-C-N 121.009 -1.057 . . . . 0.0 111.303 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.43 135.94 34.06 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 120.927 -1.337 . . . . 0.0 110.557 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.56 123.62 48.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 176.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.13 160.08 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.347 0 C-N-CA 117.346 -1.742 . . . . 0.0 110.66 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.5 m -108.85 128.29 54.78 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.517 -1.365 . . . . 0.0 107.678 175.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.77 121.35 60.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 176.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.29 50.71 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -179.55 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.79 153.37 47.11 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.736 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.506 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.77 6.42 Favored 'General case' 0 C--N 1.288 -2.08 0 C-N-CA 118.556 -1.258 . . . . 0.0 108.052 178.204 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.29 40.14 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 117.981 -2.056 . . . . 0.0 110.351 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.48 -40.56 83.07 Favored 'General case' 0 C--N 1.276 -2.629 0 CA-C-N 114.441 -0.879 . . . . 0.0 112.167 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.09 36.88 3.51 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 115.845 -2.342 . . . . 0.0 108.55 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.42 -33.52 65.9 Favored 'General case' 0 N--CA 1.521 3.105 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.471 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.65 27.51 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.624 -1.922 . . . . 0.0 110.965 -176.592 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.765 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.46 -40.78 98.05 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.55 77.43 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 117.456 -1.698 . . . . 0.0 110.038 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.76 -42.24 89.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 CA-C-O 122.29 1.043 . . . . 0.0 109.319 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.91 -47.93 76.57 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-O 122.068 0.937 . . . . 0.0 108.762 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.765 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.69 -38.43 76.99 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.695 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.5 mt -75.6 -28.55 58.95 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.361 -1.462 . . . . 0.0 110.912 -174.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.48 70.74 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.3 62.75 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.453 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.24 -45.23 84.12 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 118.975 -1.09 . . . . 0.0 110.558 177.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.36 -37.3 85.16 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.925 -1.109 . . . . 0.0 111.602 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.79 61.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.188 -0.945 . . . . 0.0 110.264 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.87 -32.36 45.89 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.501 -0.749 . . . . 0.0 111.27 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.5 12.37 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 124.337 2.017 . . . . 0.0 112.83 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.911 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.555 0 CA-C-N 111.127 -2.76 . . . . 0.0 110.127 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.62 -47.38 78.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.9 0.381 . . . . 0.0 110.278 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -66.66 -37.55 85.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.264 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.05 -42.48 96.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.386 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.13 -45.22 96.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.927 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mtp -58.72 -40.94 85.17 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.83 -42.25 97.12 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.96 -42.84 99.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.251 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' CG2' ' OG1' ' D' ' 316' ' ' THR . 93.6 mt -62.73 -44.49 99.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.759 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.0 -43.69 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.02 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -61.34 -46.34 90.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.713 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.4 m -59.93 -44.29 94.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.001 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.7 99.84 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.41 -41.95 98.73 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.1 78.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.877 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -60.42 -45.76 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.401 ' OG ' ' NH2' ' D' ' 317' ' ' ARG . 67.1 m -54.5 -43.77 72.11 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.53 -41.71 99.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.716 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.44 77.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -60.02 -42.21 93.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.587 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.46 96.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.744 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.76 89.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.605 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.6 -46.0 91.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.46 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -55.64 -42.88 75.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.17 0.509 . . . . 0.0 109.631 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.586 ' NE2' ' CE ' ' A' ' 40' ' ' MET . 98.0 mt-30 -60.43 -41.25 93.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.813 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.43 93.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.711 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.61 -29.54 70.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.135 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -83.11 -5.42 59.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.445 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 18.56 64.14 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -100.88 78.65 1.96 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.777 0.323 . . . . 0.0 110.285 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -65.43 -33.44 75.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.645 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -48.44 79.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.148 0.499 . . . . 0.0 110.773 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -34.95 79.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.382 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.73 87.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.614 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.48 -41.89 97.94 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.626 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.2 94.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.586 ' CE ' ' NE2' ' A' ' 28' ' ' GLN . 45.9 mtt -65.55 -40.65 93.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.463 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.551 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 19.1 mmt -62.51 -42.9 99.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.632 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -62.39 -45.59 92.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.996 0.426 . . . . 0.0 110.551 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.2 -41.99 96.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.21 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.43 -46.35 90.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.559 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -60.47 -43.16 97.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.61 -42.57 99.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.141 0.496 . . . . 0.0 110.621 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.05 98.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.162 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.59 -39.94 92.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.74 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -61.29 -41.41 96.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.274 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.28 -39.6 92.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.198 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.1 76.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.422 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.7 -38.73 88.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.381 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.19 -43.74 98.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.92 -43.77 97.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.04 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.535 HE22 ' CD2' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -60.15 -41.64 93.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.301 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.4 m -56.89 -44.1 81.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.996 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.74 -40.19 96.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.534 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.3 mt -62.94 -31.01 72.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.669 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.411 HG23 HD13 ' A' ' 59' ' ' ILE . 96.8 mt -86.5 -31.34 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.829 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.528 179.844 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.461 0.093 0 CA-C-O 120.995 0.426 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.4 p -131.28 163.25 28.22 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.4 mt -56.89 -44.11 81.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.49 -47.93 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.887 0.375 . . . . 0.0 110.551 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.535 ' CD2' HE22 ' A' ' 55' ' ' GLN . 83.5 mt -63.79 -42.5 97.73 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.86 -47.74 90.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.178 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.93 -45.32 90.69 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.271 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.65 96.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.606 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -64.54 -40.17 95.1 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.181 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.5 tp -57.51 -47.62 81.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.361 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -67.45 -48.2 67.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.725 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.57 -45.26 94.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.872 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.8 -45.05 95.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.7 p -62.15 -47.21 85.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.076 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -62.23 -47.84 82.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.441 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -58.68 -48.28 81.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.61 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.89 -45.23 95.43 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.127 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.54 88.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.801 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -61.6 -45.35 94.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.073 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.468 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 95.5 mt-10 -61.2 -49.67 76.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.107 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.37 -41.71 96.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.219 0.533 . . . . 0.0 109.883 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.5 mt -59.77 -42.11 87.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.551 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 98.3 m -58.32 -45.96 87.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.988 0.423 . . . . 0.0 109.872 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.7 -42.51 99.68 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 13.9 mt -59.6 -43.19 93.79 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.21 -42.33 93.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.582 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.89 -39.43 85.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.459 ' CD2' ' NE2' ' B' ' 98' ' ' HIS . 36.7 mt -62.07 -41.71 98.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.887 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.567 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 75.5 m80 -60.04 -40.2 88.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.04 -38.51 91.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.217 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -62.69 -39.88 95.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.24 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.43 179.67 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.9 mt . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.601 0.238 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.39 -47.33 79.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.942 0.401 . . . . 0.0 110.396 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -66.7 -37.81 85.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.125 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.74 -42.56 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.371 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.14 -45.17 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.896 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.09 -40.59 85.74 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.0 -42.17 96.92 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.01 -42.78 99.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.794 0.331 . . . . 0.0 110.382 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.06 -44.41 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.691 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.98 -43.82 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.94 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -61.09 -46.34 91.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.872 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 68.1 m -59.94 -44.28 94.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.059 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.99 -41.89 99.8 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.16 -42.14 99.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.89 -48.88 78.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.878 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.76 -45.7 93.32 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -54.45 -43.51 71.71 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.81 -41.97 99.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.688 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.98 -48.94 79.75 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.468 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.7 m-85 -60.22 -42.06 94.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.634 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.91 95.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.694 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.95 88.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.613 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.4 -46.23 91.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.309 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -55.59 -43.14 75.72 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.596 ' NE2' ' CE ' ' B' ' 40' ' ' MET . 98.0 mt-30 -60.17 -40.99 91.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.869 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.12 94.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.765 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.95 -29.36 70.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.004 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -83.22 -5.9 59.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.405 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.0 18.17 63.7 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -100.64 78.01 1.95 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.762 0.315 . . . . 0.0 110.331 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -65.09 -33.49 76.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.635 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.84 77.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.048 0.451 . . . . 0.0 110.757 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -34.78 79.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.393 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.0 86.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.543 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.31 -42.05 98.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.597 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.43 93.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.659 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' MET . . . . . 0.596 ' CE ' ' NE2' ' B' ' 28' ' ' GLN . 46.1 mtt -65.44 -40.81 93.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.556 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 18.6 mmt -62.41 -43.02 99.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.599 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.32 -45.9 91.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.414 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.7 -41.97 98.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.3 t -61.53 -46.59 89.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.529 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.36 -43.06 96.89 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.345 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 94.0 mtp -61.55 -42.73 99.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.295 0.569 . . . . 0.0 110.625 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.8 98.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.158 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.96 -39.96 90.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.741 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 51.0 t-20 -61.03 -41.47 96.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.349 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.34 -39.69 92.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.185 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.94 77.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.472 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.93 -38.66 89.29 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.302 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.24 -43.89 98.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.277 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.67 -43.98 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.998 0.428 . . . . 0.0 110.081 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.545 HE22 ' CD2' ' B' ' 74' ' ' LEU . 0.6 OUTLIER -60.11 -41.73 93.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.276 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 74.5 m -56.74 -43.94 81.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.0 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.04 -40.0 95.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.3 mt -63.15 -30.82 71.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.669 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.407 HD13 HG23 ' B' ' 59' ' ' ILE . 96.8 mt -86.64 -31.24 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.745 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.865 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.2 t . . . . . 0 N--CA 1.463 0.182 0 CA-C-O 120.889 0.376 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 97.8 p -130.57 166.12 21.29 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.5 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.38 -43.69 96.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.538 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.65 -47.05 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.659 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.545 ' CD2' HE22 ' B' ' 55' ' ' GLN . 82.7 mt -64.23 -41.89 96.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.36 -47.9 90.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.354 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -58.58 -45.83 88.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.303 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.29 97.14 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.861 0.362 . . . . 0.0 110.402 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -63.88 -40.42 96.47 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.209 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 40.3 tp -57.27 -47.96 80.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.38 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -67.33 -47.62 69.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.781 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.16 -45.0 95.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.32 -44.28 96.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.238 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.6 p -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.151 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.39 -47.82 82.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.58 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.47 -48.53 80.45 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.474 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.74 -45.32 94.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.1 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.54 88.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.876 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.57 -45.36 94.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.251 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.463 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.3 mt-10 -61.17 -49.11 78.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.146 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.22 -41.21 94.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.0 109.975 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 31.9 mt -59.91 -42.05 88.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.216 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.556 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 98.9 m -58.56 -45.75 88.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.056 0.455 . . . . 0.0 109.818 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.92 -42.22 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.557 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.0 mt -59.96 -43.25 95.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.21 -42.22 92.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.56 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -59.8 -39.56 85.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.759 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.466 ' CD2' ' NE2' ' C' ' 98' ' ' HIS . 35.8 mt -62.15 -41.44 98.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.829 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.557 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 75.6 m80 -60.02 -40.44 89.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.78 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -63.9 -38.4 90.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.142 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -62.94 -39.8 95.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.177 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.406 179.703 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.5 mt . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.546 0.212 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.4 -47.35 79.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.859 0.361 . . . . 0.0 110.396 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -66.65 -37.24 84.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.354 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.39 -42.01 94.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.387 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.63 -45.1 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.012 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.04 -40.52 85.32 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.11 -42.3 96.64 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.8 -42.84 99.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.321 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.07 -44.3 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.688 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.4 HG22 HD13 ' C' ' 13' ' ' ILE . 88.5 mt -62.87 -44.12 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.057 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.01 -46.73 89.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.819 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 67.4 m -59.33 -44.29 92.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.197 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.96 -42.02 99.77 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.25 -41.93 99.12 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.74 -49.5 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.36 -45.98 91.58 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.2 m -54.31 -43.65 71.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.45 -42.24 99.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.762 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.49 -49.3 77.84 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.463 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.5 m-85 -60.17 -42.32 94.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.477 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.47 96.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.82 89.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.524 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.67 -45.67 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.484 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -56.04 -42.57 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . 0.576 ' NE2' ' CE ' ' C' ' 40' ' ' MET . 97.8 mt-30 -60.88 -40.54 93.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.96 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.61 95.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.796 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.39 -29.72 70.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.041 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -83.02 -5.52 59.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.458 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.43 18.54 64.04 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.87 78.36 1.94 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.826 0.346 . . . . 0.0 110.317 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -65.32 -33.64 76.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.59 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.73 78.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.96 0.41 . . . . 0.0 110.644 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.41 -35.14 80.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.422 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.8 87.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.487 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.662 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.51 93.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.694 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' MET . . . . . 0.576 ' CE ' ' NE2' ' C' ' 28' ' ' GLN . 46.0 mtt -65.42 -40.62 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.572 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.557 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 19.2 mmt -62.25 -43.35 99.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.575 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.41 -45.85 91.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.443 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.7 -41.97 98.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.31 -46.69 89.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.561 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -60.55 -42.83 97.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.343 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.0 mtp -61.7 -42.66 99.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.259 0.552 . . . . 0.0 110.495 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.13 98.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.322 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.73 -39.81 91.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.731 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 51.3 t-20 -61.38 -41.57 97.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.352 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -64.92 -40.11 94.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.048 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.1 -45.38 77.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.423 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -61.5 -38.5 87.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.302 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 41.1 mt -61.73 -43.37 98.99 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.311 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -64.03 -43.87 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.015 0.436 . . . . 0.0 109.977 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.537 HE22 ' CD2' ' C' ' 74' ' ' LEU . 0.6 OUTLIER -60.23 -41.92 94.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.237 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 76.7 m -56.37 -44.17 79.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.176 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.92 -40.15 95.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.496 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.82 -30.76 71.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.414 HD13 HG23 ' C' ' 59' ' ' ILE . 96.6 mt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.8 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' SER . . . . . 0.402 ' HG ' ' CD1' ' C' ' 74' ' ' LEU . 99.5 p . . . . . 0 C--O 1.226 -0.14 0 CA-C-O 121.035 0.445 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.95 -43.22 99.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.627 -177.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.69 -47.2 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 130.181 3.393 . . . . 0.0 110.621 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.537 ' CD2' HE22 ' C' ' 55' ' ' GLN . 85.9 mt -66.68 -41.68 87.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.066 0.46 . . . . 0.0 110.943 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.61 -48.02 90.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.251 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -58.94 -45.62 89.98 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.75 96.82 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.824 0.345 . . . . 0.0 110.358 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -64.44 -40.22 95.32 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 39.0 tp -57.36 -47.87 80.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.485 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -67.35 -48.14 68.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.727 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.68 -45.37 94.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.844 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.77 -44.41 96.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.381 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.0 p -62.67 -47.36 84.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.186 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.02 -47.77 83.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.613 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -58.52 -48.48 80.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.491 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.84 -45.35 94.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.164 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.94 -46.72 87.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.945 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.33 -45.6 93.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.113 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.94 -49.04 79.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 0.0 110.13 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.36 -41.49 93.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.147 0.499 . . . . 0.0 109.984 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 32.1 mt -59.66 -42.24 87.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.39 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 92' ' ' THR . . . . . 0.557 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 98.1 m -58.23 -45.92 86.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.065 0.459 . . . . 0.0 109.918 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.84 -42.25 99.67 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.0 mt -59.94 -42.92 95.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.32 -42.22 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.602 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.05 -39.15 84.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.778 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 37.5 mt -62.19 -41.88 98.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.914 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 76.0 m80 -59.79 -40.4 88.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.794 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -63.95 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.159 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.79 -39.76 95.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.209 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.256 179.835 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.5 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 121.89 0.852 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.461 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.71 142.97 36.84 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.02 156.23 38.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.046 -1.034 . . . . 0.0 109.558 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.1 149.17 28.51 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.16 152.31 18.94 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.04 -1.037 . . . . 0.0 108.434 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.8 144.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.7 136.66 36.92 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.144 0.973 . . . . 0.0 110.125 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -85.03 114.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.92 -4.28 19.29 Favored 'General case' 0 C--N 1.265 -3.106 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.914 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.77 85.66 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 119.658 -1.901 . . . . 0.0 110.591 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -45.39 -47.7 12.62 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 124.72 3.613 . . . . 0.0 114.181 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.559 ' C ' HD21 ' D' ' 312' ' ' ASN . 0.1 OUTLIER -102.13 27.52 6.58 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 116.075 -2.25 . . . . 0.0 108.779 179.407 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.52 -145.21 48.85 Favored Glycine 0 N--CA 1.496 2.697 0 C-N-CA 117.74 -2.172 . . . . 0.0 109.623 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.4 tp -97.58 80.67 2.85 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.866 -1.373 . . . . 0.0 109.555 -176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.502 ' CD2' ' OD1' ' D' ' 312' ' ' ASN . 2.7 p80 -83.15 174.46 10.78 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 117.896 -1.522 . . . . 0.0 112.132 -178.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.522 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.8 p -30.5 -69.03 0.07 Allowed 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 117.277 2.325 . . . . 0.0 117.277 -176.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.522 ' N ' ' OG1' ' D' ' 316' ' ' THR . 4.2 tpt85 -48.71 -60.57 4.36 Favored Pre-proline 0 N--CA 1.494 1.73 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.529 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.13 -32.28 63.82 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.937 1.758 . . . . 0.0 111.485 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.85 86.76 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.476 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.78 72.73 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.89 -39.44 94.2 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 118.036 -1.466 . . . . 0.0 109.504 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.551 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.66 -45.36 93.16 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 122.61 1.195 . . . . 0.0 108.651 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . 0.618 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 53.0 t -62.68 -42.17 95.07 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.285 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.649 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -63.98 -40.23 95.92 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.268 -0.895 . . . . 0.0 109.751 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.66 80.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.49 -0.756 . . . . 0.0 109.578 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.02 91.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.645 -1.284 . . . . 0.0 109.411 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . 0.618 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.3 mttp -61.35 -16.23 44.13 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.337 -0.852 . . . . 0.0 113.264 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.55 86.1 Favored Glycine 0 N--CA 1.479 1.541 0 O-C-N 119.946 -1.721 . . . . 0.0 109.344 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.408 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.48 143.34 32.84 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.295 -1.709 . . . . 0.0 109.944 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.67 -30.03 59.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.206 -0.934 . . . . 0.0 112.293 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.83 158.59 10.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 119.765 -1.835 . . . . 0.0 112.796 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.98 130.16 35.25 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 102.827 -3.027 . . . . 0.0 102.827 171.295 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.65 136.53 60.54 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 O-C-N 121.101 -1.0 . . . . 0.0 109.34 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.404 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.7 m -124.84 143.23 50.93 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-O 123.041 1.401 . . . . 0.0 110.015 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.404 ' N ' HG23 ' D' ' 334' ' ' THR . 85.8 t -108.16 129.92 61.59 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.754 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 173.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 68.8 m -127.45 119.69 26.68 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.898 -1.126 . . . . 0.0 108.894 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.67 122.57 39.1 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.507 -0.746 . . . . 0.0 109.921 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 39.05 24.51 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.917 -1.114 . . . . 0.0 112.797 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 10.98 83.66 Favored Glycine 0 N--CA 1.502 3.047 0 O-C-N 119.97 -1.706 . . . . 0.0 112.572 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.81 136.3 54.52 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.81 158.54 33.13 Favored 'General case' 0 C--N 1.275 -2.671 0 CA-C-O 123.8 1.762 . . . . 0.0 112.424 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.36 31.31 Favored 'General case' 0 C--N 1.279 -2.497 0 CA-C-N 112.501 -2.136 . . . . 0.0 108.604 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.665 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.59 136.02 48.9 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 105.553 -2.018 . . . . 0.0 105.553 173.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.01 -6.81 47.94 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.69 -1.256 . . . . 0.0 110.753 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.665 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.45 12.93 31.57 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.679 -1.263 . . . . 0.0 109.39 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 84.5 p -133.05 104.22 6.42 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 122.195 0.998 . . . . 0.0 110.091 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 43.1 tp -57.34 -37.87 73.22 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.94 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -58.9 -51.37 70.32 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.539 -1.351 . . . . 0.0 113.063 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.06 -32.38 70.46 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 119.479 -2.013 . . . . 0.0 109.262 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.8 -33.76 75.87 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.932 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -67.7 -10.43 52.31 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.607 -0.683 . . . . 0.0 110.004 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.3 p -89.75 -7.81 53.65 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.95 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.2 159.33 15.33 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.304 -0.873 . . . . 0.0 110.202 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.79 2.96 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 106.952 -2.459 . . . . 0.0 106.952 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.0 mt -119.59 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.226 0 O-C-N 120.738 -1.448 . . . . 0.0 107.453 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 69.3 p -81.45 172.52 13.42 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 118.74 -1.184 . . . . 0.0 109.259 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.67 140.91 57.29 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.879 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.24 78.89 Favored Glycine 0 N--CA 1.5 2.962 0 C-N-CA 120.002 -1.095 . . . . 0.0 111.329 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.37 135.94 34.08 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.91 -1.347 . . . . 0.0 110.622 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.59 123.72 49.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.11 160.07 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 119.973 -1.705 . . . . 0.0 110.656 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 90.2 m -108.89 128.41 54.89 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.539 -1.35 . . . . 0.0 107.619 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.93 121.38 60.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 364' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.59 147.2 50.7 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.5 47.27 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.788 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.5 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.74 6.4 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 118.561 -1.256 . . . . 0.0 108.025 178.233 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.29 40.17 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.031 -2.033 . . . . 0.0 110.385 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.62 82.58 Favored 'General case' 0 C--N 1.275 -2.631 0 CA-C-N 114.42 -0.89 . . . . 0.0 112.209 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.1 36.77 3.56 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 115.843 -2.343 . . . . 0.0 108.561 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.51 65.73 Favored 'General case' 0 N--CA 1.521 3.123 0 N-CA-C 116.871 2.174 . . . . 0.0 116.871 -174.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.511 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.93 -45.59 27.3 Favored 'General case' 0 N--CA 1.509 2.503 0 O-C-N 119.611 -1.931 . . . . 0.0 110.95 -176.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.781 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.56 -40.77 97.83 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.04 -49.55 77.45 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 117.464 -1.695 . . . . 0.0 110.024 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.78 -42.25 89.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 CA-C-O 122.248 1.023 . . . . 0.0 109.252 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.9 -47.9 76.6 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-O 122.101 0.953 . . . . 0.0 108.763 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.781 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.75 -38.39 76.78 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.687 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.551 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.7 mt -75.63 -28.57 58.86 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.327 -1.483 . . . . 0.0 110.863 -174.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.53 71.2 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.498 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.85 -49.35 62.64 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.21 -45.15 84.08 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.004 -1.079 . . . . 0.0 110.564 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.49 -37.31 85.48 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.893 -1.13 . . . . 0.0 111.486 -177.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.85 -31.85 61.75 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.041 -1.037 . . . . 0.0 110.275 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.92 -32.25 45.59 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.466 -0.772 . . . . 0.0 111.348 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.18 125.51 12.52 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 124.355 2.026 . . . . 0.0 112.895 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.914 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 11.1 pt-20 . . . . . 0 C--N 1.278 -2.537 0 CA-C-N 111.065 -2.789 . . . . 0.0 110.133 -177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.3 mt . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -64.41 -45.27 88.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.915 0.388 . . . . 0.0 110.33 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.99 -35.51 80.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.312 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.33 -42.59 95.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.45 -44.71 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.971 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -58.51 -42.04 86.81 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.16 97.46 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.44 -43.4 97.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.188 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.52 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.726 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.66 -44.25 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.972 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -60.81 -46.28 91.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.809 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -60.35 -43.98 95.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.924 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.13 99.09 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' CG ' HH21 ' D' ' 317' ' ' ARG . 85.5 mt-30 -63.56 -43.04 98.22 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.82 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.877 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -59.97 -47.15 86.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -53.37 -43.38 67.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.56 -42.1 99.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.734 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.86 75.89 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.78 -44.55 93.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.626 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.8 93.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.785 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.87 81.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.698 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.04 -45.22 95.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.423 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -55.73 -42.32 75.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.203 0.525 . . . . 0.0 109.585 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.58 -41.9 95.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.875 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.06 90.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.748 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.86 -29.24 70.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.181 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -81.88 -5.06 57.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.513 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.49 17.09 64.91 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -99.29 77.81 2.16 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.742 0.306 . . . . 0.0 110.305 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -65.38 -34.81 79.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.649 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.37 74.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.083 0.468 . . . . 0.0 110.733 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.62 81.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.408 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.26 80.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -62.12 -44.82 95.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.554 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.52 96.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.775 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.4 mtp -65.63 -39.76 91.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.478 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 2.5 mmt -61.73 -41.7 98.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.624 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -63.46 -41.61 98.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.975 0.417 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.74 -40.85 97.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.9 t -61.63 -45.15 95.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.562 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -60.66 -42.35 96.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.341 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.2 tpp -60.97 -43.34 98.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.221 0.534 . . . . 0.0 110.557 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.3 98.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.167 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.403 HD11 ' HE ' ' A' ' 88' ' ' ARG . 90.6 mt -66.47 -39.47 88.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.704 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -60.11 -42.81 95.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.3 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.06 -38.91 92.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.255 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.52 75.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.47 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -61.35 -39.02 89.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.432 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.75 -44.66 96.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.301 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.7 -43.11 93.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.973 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.454 ' OE1' ' CD1' ' A' ' 59' ' ' ILE . 10.2 tm0? -59.96 -44.0 94.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.212 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -56.87 -42.25 79.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.034 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.08 -39.23 91.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.954 0.407 . . . . 0.0 110.5 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.46 -29.64 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.677 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.454 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 96.7 mt -86.23 -31.61 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.795 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.468 179.869 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.481 ' CG1' ' OE1' ' B' ' 76' ' ' GLU . 2.3 m . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 120.928 0.394 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.505 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 84.2 p -129.97 162.68 28.12 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.6 mt -58.6 -41.73 86.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.654 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.44 -46.04 94.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.381 . . . . 0.0 110.498 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.505 ' H ' ' HG ' ' A' ' 71' ' ' SER . 91.4 mt -63.36 -41.58 98.84 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 120.983 0.421 . . . . 0.0 110.881 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.7 t -60.06 -46.74 93.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.223 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -58.86 -45.51 89.95 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.342 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.52 93.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.646 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.471 HE21 ' CG ' ' A' ' 82' ' ' MET . 47.4 tp60 -63.87 -41.89 97.65 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.165 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.42 -46.17 83.81 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.458 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -67.45 -47.4 70.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.752 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.51 -45.35 94.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.839 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.471 ' CG ' HE21 ' A' ' 78' ' ' GLN . 89.0 mmm -61.69 -43.75 98.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.171 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.1 p -63.37 -47.03 83.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.097 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.8 m -62.22 -48.75 78.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.432 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.61 -48.74 79.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.731 0.3 . . . . 0.0 110.572 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.55 -45.3 93.55 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.112 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.32 -49.79 76.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.811 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.403 ' HE ' HD11 ' A' ' 48' ' ' LEU . 73.8 ttp85 -58.49 -45.26 89.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.157 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -60.2 -46.94 88.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.067 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.35 -41.64 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.21 0.528 . . . . 0.0 109.842 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.49 -42.57 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.305 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.478 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 19.3 m -58.51 -45.34 89.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.022 0.439 . . . . 0.0 109.864 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.89 -41.95 99.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.599 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.517 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.7 mt -59.42 -42.99 93.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.407 HG23 HD13 ' A' ' 95' ' ' ILE . 91.0 mt -60.61 -42.57 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.536 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.62 -38.24 86.91 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.6 mt -63.14 -41.37 99.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.851 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.4 m80 -59.8 -40.45 88.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.55 -39.59 84.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.15 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.81 -36.1 82.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.368 179.748 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.535 0.207 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.63 -45.22 87.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.96 0.409 . . . . 0.0 110.368 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -67.01 -35.64 80.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.175 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.23 -42.44 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.312 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.72 -44.64 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.848 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.68 -41.83 87.12 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.04 97.33 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.209 -1.157 . . . . 0.0 110.209 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.51 -43.42 97.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.4 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.6 -44.41 98.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.718 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.61 -44.2 98.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.962 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -61.16 -45.99 92.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.859 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -60.43 -43.72 96.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.078 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.43 -43.19 98.61 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.42 -43.19 98.21 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.842 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.402 ' NH1' ' CB ' ' B' ' 87' ' ' ALA . 63.4 ttm-85 -59.9 -47.13 87.01 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -53.6 -42.92 68.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.81 -42.14 99.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.685 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.81 76.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.79 -44.5 93.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.634 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.94 94.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.736 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.14 -42.95 81.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.622 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.13 -45.2 95.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.309 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -55.83 -42.37 75.62 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.58 -41.66 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.904 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.35 91.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.681 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.39 -29.66 70.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.083 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.6 -5.11 57.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.332 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.81 16.41 65.64 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -98.87 78.03 2.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.777 0.322 . . . . 0.0 110.313 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -65.73 -34.95 79.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.658 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.21 76.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.095 0.474 . . . . 0.0 110.81 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.8 82.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.423 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.02 -47.7 79.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -61.66 -45.49 93.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.522 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.99 96.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.717 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 45.9 mtp -65.4 -39.81 92.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.465 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 2.4 mmt -61.63 -41.95 98.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.582 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -63.4 -41.48 98.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.47 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.73 -41.06 98.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.225 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -61.38 -45.37 94.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.549 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -60.45 -42.37 96.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.285 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 35.8 tpp -61.06 -42.92 99.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.287 0.565 . . . . 0.0 110.62 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.04 99.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.171 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -66.71 -39.53 88.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.777 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . 0.419 ' C ' ' OD1' ' B' ' 49' ' ' ASN . 49.4 t-20 -59.93 -42.97 95.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.311 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.88 -39.49 93.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.17 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.64 -44.61 77.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.428 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.53 -38.85 88.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.301 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.79 -44.34 96.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.326 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -66.19 -42.65 91.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 0.0 110.055 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.454 ' OE1' ' CD1' ' B' ' 59' ' ' ILE . 10.0 tm0? -60.28 -43.63 96.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.215 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -57.15 -42.93 81.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.913 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.39 -39.54 91.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.876 0.369 . . . . 0.0 110.529 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.09 -29.91 71.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.727 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.454 ' CD1' ' OE1' ' B' ' 55' ' ' GLN . 96.7 mt -86.08 -31.72 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.704 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.536 179.788 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.454 ' CG1' ' OE1' ' C' ' 76' ' ' GLU . 2.7 m . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.873 0.368 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.505 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 91.2 p -129.69 164.34 24.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.551 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.62 -41.81 95.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.545 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 75.0 t -63.27 -45.37 98.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.645 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.505 ' H ' ' HG ' ' B' ' 71' ' ' SER . 90.0 mt -63.69 -41.29 98.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.14 -47.19 93.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.296 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.481 ' OE1' ' CG1' ' A' ' 70' ' ' VAL . 81.6 tt0 -58.58 -45.92 88.05 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.26 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.54 95.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.916 0.388 . . . . 0.0 110.406 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.473 HE21 ' CG ' ' B' ' 82' ' ' MET . 47.1 tp60 -63.78 -41.84 97.87 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 45.6 tp -57.51 -46.13 84.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.375 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -67.51 -47.45 69.93 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.694 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.41 -45.5 94.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' MET . . . . . 0.473 ' CG ' HE21 ' B' ' 78' ' ' GLN . 89.3 mmm -61.48 -44.17 97.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.2 p -62.69 -47.2 84.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.141 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 71.0 m -62.18 -48.74 78.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.622 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -58.74 -48.84 79.78 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.471 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.44 -45.32 93.62 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.129 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . 0.402 ' CB ' ' NH1' ' B' ' 19' ' ' ARG . . . -59.3 -49.91 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.877 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 73.8 ttp85 -58.46 -45.09 89.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.262 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -60.32 -47.07 87.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.16 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.26 -41.3 94.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.1 0.476 . . . . 0.0 110.009 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.76 -42.56 92.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.223 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.465 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 19.5 m -58.47 -45.44 88.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.083 0.468 . . . . 0.0 109.857 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.79 -42.25 99.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.498 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.498 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.4 mt -59.14 -43.17 91.99 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.41 -42.72 92.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.554 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.26 -38.58 87.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.763 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.2 mt -62.98 -41.04 99.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.854 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.498 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.5 m80 -59.96 -40.42 89.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.104 0.478 . . . . 0.0 109.811 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -59.61 -39.49 84.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.054 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.09 -35.96 82.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.176 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.373 179.778 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 N--CA 1.456 -0.13 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -65.13 -44.8 87.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 110.377 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -67.31 -35.46 79.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.329 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.25 -42.64 96.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.362 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.52 -44.52 96.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.942 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.0 mtp -58.9 -42.04 88.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.49 97.83 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.1 -43.63 97.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.395 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.36 -44.58 99.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.689 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.38 -44.01 98.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.053 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -61.34 -46.33 90.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.839 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -60.04 -44.05 94.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.146 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.87 99.02 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -63.58 -43.09 97.98 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.19 -49.86 75.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.802 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.404 ' NH1' ' CB ' ' C' ' 87' ' ' ALA . 63.5 ttm-85 -59.99 -46.84 88.13 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -53.5 -43.2 68.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.85 -42.38 99.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.712 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.84 76.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.85 -44.52 94.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.545 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.69 94.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.706 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.27 -42.98 82.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.605 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.96 -45.25 95.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.429 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -56.03 -42.3 76.3 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.55 -41.55 94.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.115 0.483 . . . . 0.0 109.898 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.45 92.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.784 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.56 -29.17 69.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.075 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.83 -5.14 57.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.413 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.73 16.81 64.97 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -99.08 78.12 2.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.708 0.29 . . . . 0.0 110.262 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -65.63 -34.58 78.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.591 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.48 -49.02 75.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.076 0.465 . . . . 0.0 110.707 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.4 81.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.464 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -47.64 77.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -61.6 -45.27 94.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.603 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.02 95.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.733 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 46.5 mtp -65.16 -39.99 93.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.478 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 2.4 mmt -61.59 -41.82 97.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.594 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -63.39 -41.79 98.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.51 -41.0 98.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.293 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -61.3 -45.49 94.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.66 -42.07 96.3 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.387 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 36.1 tpp -61.07 -43.73 98.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.332 0.586 . . . . 0.0 110.523 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.45 98.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.291 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.47 -39.75 88.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.704 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 50.7 t-20 -59.91 -42.93 94.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.375 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.65 -39.59 93.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.035 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.71 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.405 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.39 -39.16 89.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.301 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.72 -44.11 97.04 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.319 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.09 -43.1 92.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.451 . . . . 0.0 109.967 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.459 ' OE1' ' CD1' ' C' ' 59' ' ' ILE . 9.8 tm0? -59.92 -43.73 94.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.238 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -57.2 -42.59 81.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.158 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -39.07 90.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.357 . . . . 0.0 110.481 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.43 -29.5 70.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.459 ' CD1' ' OE1' ' C' ' 55' ' ' GLN . 96.9 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.858 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' SER . . . . . 0.498 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 90.1 p . . . . . 0 N--CA 1.461 0.117 0 CA-C-O 121.046 0.451 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.41 -41.41 98.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.682 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.18 -46.03 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 130.061 3.344 . . . . 0.0 110.668 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.498 ' H ' ' HG ' ' C' ' 71' ' ' SER . 87.1 mt -65.42 -40.82 93.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.09 0.471 . . . . 0.0 110.981 177.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.64 -47.82 91.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.17 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.454 ' OE1' ' CG1' ' B' ' 70' ' ' VAL . 80.8 tt0 -58.41 -46.0 87.31 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.305 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.66 95.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.862 0.363 . . . . 0.0 110.435 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . 0.484 HE21 ' CG ' ' C' ' 82' ' ' MET . 47.3 tp60 -63.72 -41.69 98.04 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.264 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 45.2 tp -57.57 -46.3 84.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.503 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -67.46 -47.3 70.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.737 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.56 -45.58 93.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.748 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' MET . . . . . 0.484 ' CG ' HE21 ' C' ' 78' ' ' GLN . 89.5 mmm -61.56 -43.86 98.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.305 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 22.3 p -63.03 -47.05 84.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.195 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 71.3 m -62.3 -48.64 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.597 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.79 -48.49 81.09 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.7 0.286 . . . . 0.0 110.526 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.94 -45.34 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.096 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . 0.404 ' CB ' ' NH1' ' C' ' 19' ' ' ARG . . . -59.23 -49.88 76.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.918 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -58.26 -45.5 87.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.249 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -59.84 -47.25 86.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.14 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.1 -41.45 94.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.181 0.515 . . . . 0.0 110.091 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -60.76 -42.17 91.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.347 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 92' ' ' THR . . . . . 0.478 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 19.1 m -58.91 -45.01 91.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.136 0.493 . . . . 0.0 109.957 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.17 -42.09 99.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.455 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.516 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.4 mt -59.19 -42.97 92.12 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.412 HD13 HG23 ' C' ' 95' ' ' ILE . 89.9 mt -60.68 -42.69 92.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.565 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.11 -38.67 87.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.707 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.79 -41.4 99.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.853 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.8 m80 -59.94 -40.36 88.68 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.71 -39.51 84.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.103 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.89 -35.85 82.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.251 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.333 179.784 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.505 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 121.965 0.888 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.86 143.04 36.56 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.22 38.37 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.974 -1.078 . . . . 0.0 109.568 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.11 149.2 28.54 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.33 18.92 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.967 -1.083 . . . . 0.0 108.42 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.87 144.36 19.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.77 136.62 37.05 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.152 0.977 . . . . 0.0 110.113 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.99 114.3 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.78 -4.34 19.44 Favored 'General case' 0 C--N 1.265 -3.08 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.911 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.77 85.68 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 119.644 -1.91 . . . . 0.0 110.634 178.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.4 -47.8 12.5 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 124.756 3.637 . . . . 0.0 114.142 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.678 HD21 ' CD2' ' C' ' 52' ' ' HIS . 11.1 m120 -102.06 27.56 6.5 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 116.029 -2.268 . . . . 0.0 108.77 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.03 -142.19 47.56 Favored Glycine 0 N--CA 1.496 2.664 0 C-N-CA 117.722 -2.18 . . . . 0.0 109.591 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.3 tp -88.7 72.65 8.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.849 -1.383 . . . . 0.0 109.489 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.616 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.2 p80 -64.55 176.21 1.18 Allowed 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 117.914 -1.515 . . . . 0.0 112.124 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 30.8 p -41.5 -66.2 0.36 Allowed 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 117.208 2.299 . . . . 0.0 117.208 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.452 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 5.3 tmm_? -57.21 -50.9 85.55 Favored Pre-proline 0 N--CA 1.493 1.717 0 C-N-CA 120.116 -0.633 . . . . 0.0 112.504 -177.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.3 -32.17 61.99 Favored 'Trans proline' 0 N--CA 1.484 0.95 0 C-N-CA 120.64 0.893 . . . . 0.0 111.465 -178.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.79 86.51 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.18 -0.95 . . . . 0.0 109.502 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.98 -39.67 72.37 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -63.99 -39.31 93.84 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 117.91 -1.516 . . . . 0.0 109.522 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.55 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.34 93.23 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.621 1.2 . . . . 0.0 108.694 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.69 -42.22 95.28 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.612 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . 0.441 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 97.0 mttt -63.96 -40.26 96.02 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.171 -0.955 . . . . 0.0 109.721 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.462 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.77 -39.57 80.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.434 -0.791 . . . . 0.0 109.641 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.04 91.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.615 -1.303 . . . . 0.0 109.409 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.37 -16.14 43.29 Favored 'General case' 0 N--CA 1.512 2.636 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.92 -10.6 86.1 Favored Glycine 0 N--CA 1.479 1.56 0 O-C-N 119.855 -1.778 . . . . 0.0 109.28 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.49 143.36 32.82 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.291 -1.711 . . . . 0.0 110.003 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.5 p -75.61 -30.06 59.42 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.307 -0.871 . . . . 0.0 112.333 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.72 158.52 10.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.81 -1.806 . . . . 0.0 112.794 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.574 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.97 130.3 35.41 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 102.828 -3.027 . . . . 0.0 102.828 171.218 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.63 60.25 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.434 0 CA-C-O 122.206 1.003 . . . . 0.0 109.25 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.406 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.6 m -125.0 143.13 51.06 Favored 'General case' 0 C--N 1.285 -2.238 0 CA-C-O 123.084 1.421 . . . . 0.0 110.005 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.406 ' N ' HG23 ' D' ' 334' ' ' THR . 87.1 t -108.05 129.98 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.732 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 173.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 69.9 m -127.51 119.56 26.32 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.895 -1.128 . . . . 0.0 108.954 -178.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.54 39.13 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.936 177.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.78 38.96 24.51 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.877 -1.139 . . . . 0.0 112.746 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.08 83.52 Favored Glycine 0 N--CA 1.503 3.164 0 O-C-N 119.953 -1.717 . . . . 0.0 112.511 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.85 136.28 54.54 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.83 158.56 33.12 Favored 'General case' 0 C--N 1.275 -2.634 0 CA-C-O 123.832 1.777 . . . . 0.0 112.384 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.42 31.46 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 112.413 -2.176 . . . . 0.0 108.635 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.666 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 7.9 t -70.63 135.95 48.78 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.98 -6.75 47.49 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.721 -1.237 . . . . 0.0 110.734 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.666 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.51 13.01 31.43 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.679 -1.263 . . . . 0.0 109.374 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.3 p -133.08 104.09 6.35 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 122.132 0.968 . . . . 0.0 110.088 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 56.3 tp -57.2 -37.88 72.86 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.948 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -58.9 -51.44 70.03 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.574 -1.329 . . . . 0.0 113.028 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.45 70.63 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 119.523 -1.985 . . . . 0.0 109.184 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.81 -33.77 75.89 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 118.956 -1.098 . . . . 0.0 109.907 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -67.71 -10.41 52.19 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.643 -0.661 . . . . 0.0 109.934 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.9 p -89.77 -7.72 53.81 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 118.138 -1.425 . . . . 0.0 110.888 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.2 mt -93.4 159.33 15.3 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.187 -0.946 . . . . 0.0 110.178 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.82 2.96 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 106.962 -2.455 . . . . 0.0 106.962 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.4 mt -119.54 47.37 1.72 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.735 -1.45 . . . . 0.0 107.386 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 5.9 p -81.43 172.57 13.37 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 118.764 -1.174 . . . . 0.0 109.218 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -60.7 140.9 57.34 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.867 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.18 79.09 Favored Glycine 0 N--CA 1.5 2.954 0 C-N-CA 120.076 -1.059 . . . . 0.0 111.391 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.39 135.9 34.09 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.94 -1.329 . . . . 0.0 110.696 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.49 123.66 48.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.13 160.09 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 C-N-CA 117.425 -1.71 . . . . 0.0 110.62 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 88.9 m -108.89 128.3 54.8 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 120.587 -1.321 . . . . 0.0 107.639 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.78 121.39 60.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 176.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.402 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.33 50.71 Favored 'General case' 0 C--N 1.286 -2.189 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -179.547 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.46 47.12 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 118.466 -1.294 . . . . 0.0 109.699 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.505 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.79 6.42 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 118.553 -1.259 . . . . 0.0 108.062 178.169 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.25 -170.36 40.18 Favored Glycine 0 C--N 1.296 -1.654 0 C-N-CA 117.99 -2.052 . . . . 0.0 110.334 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.59 82.63 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.402 -0.899 . . . . 0.0 112.174 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.1 36.84 3.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 118.963 -2.336 . . . . 0.0 108.543 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.49 -33.42 65.96 Favored 'General case' 0 N--CA 1.521 3.115 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.455 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.62 27.28 Favored 'General case' 0 N--CA 1.508 2.453 0 O-C-N 119.628 -1.92 . . . . 0.0 110.965 -176.616 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.781 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.62 -40.68 97.53 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.41 77.95 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.486 -1.686 . . . . 0.0 110.047 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.88 -42.28 88.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 CA-C-O 122.243 1.021 . . . . 0.0 109.212 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.8 -47.96 76.23 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-O 122.068 0.937 . . . . 0.0 108.758 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.781 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.8 -38.28 76.57 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.7 -178.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.2 mt -75.63 -28.57 58.85 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.38 -1.45 . . . . 0.0 110.865 -174.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.56 71.14 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.42 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.76 -49.31 63.17 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.462 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.23 -45.25 84.05 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.523 177.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.34 -37.38 85.43 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.9 -1.125 . . . . 0.0 111.546 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.73 61.61 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.092 -1.005 . . . . 0.0 110.314 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.91 -32.37 45.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.558 -0.714 . . . . 0.0 111.325 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.06 125.46 12.24 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 124.341 2.02 . . . . 0.0 112.879 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.911 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.1 mt-10 . . . . . 0 C--N 1.277 -2.571 0 CA-C-N 111.167 -2.742 . . . . 0.0 110.111 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.4 mt . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 110.48 -0.193 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -64.27 -47.26 80.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.928 0.394 . . . . 0.0 110.273 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -66.91 -38.06 85.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.232 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.9 t -62.91 -42.74 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.404 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.0 t -59.89 -45.6 94.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.933 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mtp -58.86 -41.66 87.53 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.87 -42.37 97.0 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.06 -42.62 99.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.199 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.94 -44.29 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.779 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.441 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 86.0 mt -63.46 -44.09 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.956 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -61.21 -46.63 89.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.816 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -60.28 -44.35 95.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.22 99.33 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.1 -43.28 98.92 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.02 78.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.72 -45.32 94.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.24 -45.05 80.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.743 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.63 77.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.9 -40.24 88.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.554 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.78 88.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.782 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.63 89.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.727 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.28 -45.17 95.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.434 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.11 -42.1 76.31 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.11 -41.4 96.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.817 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.59 93.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.681 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -61.4 -28.72 69.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.133 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.3 -6.01 58.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.449 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 15.01 68.68 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.68 78.4 2.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.8 0.333 . . . . 0.0 110.314 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -65.99 -34.23 77.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.69 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.25 67.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.073 0.463 . . . . 0.0 110.765 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.38 -35.86 81.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.38 80.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.568 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.33 -42.53 95.86 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.642 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.5 90.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 52.3 mtt -64.81 -41.45 95.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 98.9 mmm -63.27 -41.17 99.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.631 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -62.33 -46.46 88.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.94 0.4 . . . . 0.0 110.549 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -64.06 -41.03 97.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.154 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.48 -46.75 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.712 ' NH1' HH22 ' A' ' 88' ' ' ARG . 62.0 ttm-85 -59.63 -42.99 93.95 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.304 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.94 -42.5 99.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.225 0.536 . . . . 0.0 110.539 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.201 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.12 -39.26 89.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.704 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -60.45 -43.21 97.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.222 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.15 -39.69 93.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.235 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.3 75.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -61.73 -39.13 90.48 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.365 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 mt -61.25 -43.99 97.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.318 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.19 -43.25 92.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.002 0.43 . . . . 0.0 109.964 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.9 -43.16 98.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.186 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -58.03 -42.68 85.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.067 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.71 -38.32 89.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.945 0.402 . . . . 0.0 110.555 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -65.76 -27.45 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.636 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -90.06 -32.63 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.856 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 -179.858 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.924 0.392 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.509 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 96.7 p -130.45 162.93 28.07 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.0 mt -58.37 -43.49 88.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.716 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.22 -47.69 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.533 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.509 ' H ' ' HG ' ' A' ' 71' ' ' SER . 91.9 mt -63.81 -41.18 97.94 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.045 0.45 . . . . 0.0 110.927 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.4 t -59.33 -46.98 92.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.176 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -59.65 -44.24 93.62 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.315 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.97 -44.3 89.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.682 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -63.51 -41.25 98.53 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.233 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.7 tp -57.14 -46.66 82.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.445 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -67.49 -47.1 71.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.68 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.55 -45.34 94.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.852 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -61.47 -42.75 99.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.236 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.8 p -64.23 -45.62 87.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.158 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.5 p -62.68 -48.53 78.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.481 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 17.4 ttm -58.63 -47.76 83.31 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.563 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.64 -44.81 96.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.101 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.88 82.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.825 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.712 HH22 ' NH1' ' A' ' 45' ' ' ARG . 72.9 ttp85 -58.43 -45.25 88.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.115 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.5 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.2 mt-10 -61.62 -44.06 97.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.082 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.05 -42.79 96.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.167 0.508 . . . . 0.0 109.853 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.48 -41.53 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.345 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.7 m -57.0 -45.54 82.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.52 -43.57 96.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.609 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.83 -43.4 94.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.46 -43.14 96.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.549 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -61.61 -38.35 87.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.772 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.33 -41.25 98.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.836 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -60.1 -39.28 85.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.51 -39.28 93.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.167 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.577 ' NZ ' ' CD2' ' B' ' 98' ' ' HIS . 98.5 mttt -64.73 -39.79 94.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.21 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.409 179.818 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 60.3 mt . . . . . 0 N--CA 1.456 -0.132 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -64.24 -47.26 80.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.952 0.406 . . . . 0.0 110.335 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -66.84 -38.01 85.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.251 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.16 -42.53 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.413 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.21 -45.21 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.887 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.19 -41.54 88.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.52 96.69 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.02 -42.58 99.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 0.0 110.322 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.41 HD13 HG23 ' B' ' 12' ' ' ILE . 92.7 mt -63.15 -44.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.702 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.31 -44.18 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.953 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -61.06 -46.91 88.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.822 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -59.85 -44.71 93.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.02 -42.32 99.67 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -62.81 -43.46 98.74 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -48.83 79.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.838 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.87 -45.18 95.55 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.45 -44.87 80.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.2 -42.09 98.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.649 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.63 -48.73 76.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.5 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 20.6 m-85 -59.84 -40.16 87.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.71 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.97 89.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.746 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.6 -42.5 88.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.563 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.5 -45.23 95.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.344 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.18 -42.02 76.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.13 -41.46 96.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.872 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.69 93.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.66 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -61.23 -28.93 69.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.115 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.24 -6.2 58.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.414 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.07 14.8 68.51 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -98.69 78.32 2.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 110.257 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -65.83 -34.45 78.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.615 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.65 -51.53 66.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.033 0.444 . . . . 0.0 110.768 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.71 81.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.416 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.08 77.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.58 -42.91 93.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.576 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.9 90.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.66 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 51.6 mtt -64.49 -41.22 96.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.612 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.556 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.7 mmm -63.58 -41.34 98.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.584 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.06 -46.82 87.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.485 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.71 -41.1 98.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -61.37 -46.55 89.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.446 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.701 ' NH1' HH22 ' B' ' 88' ' ' ARG . 61.9 ttm-85 -60.21 -42.64 95.58 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.296 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.88 -41.99 98.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.279 0.561 . . . . 0.0 110.634 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.98 98.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.121 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.61 -38.74 87.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -60.97 -43.36 98.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.282 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.06 -39.43 93.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.165 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.71 74.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.418 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.27 -39.32 89.96 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.283 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.2 mt -61.24 -43.88 98.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.297 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.14 -43.4 92.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.027 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.86 -43.07 98.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.231 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m -58.12 -42.68 86.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.964 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.72 -38.21 89.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.547 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.09 -27.08 67.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -90.21 -32.74 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.806 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.549 -179.788 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.803 0.335 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.533 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 92.5 p -129.7 164.92 22.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.455 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.79 -43.46 98.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.563 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 64.7 t -63.21 -47.09 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.533 ' H ' ' HG ' ' B' ' 71' ' ' SER . 92.8 mt -63.96 -40.89 97.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.042 0.449 . . . . 0.0 110.917 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 67.9 t -59.48 -46.95 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.266 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -59.67 -44.37 93.63 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.302 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.34 89.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.889 0.376 . . . . 0.0 110.485 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -63.36 -41.02 98.81 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.244 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 42.3 tp -57.53 -46.51 83.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.409 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -67.6 -47.06 70.78 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.72 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.48 -45.17 95.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.906 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.7 -43.18 99.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.216 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 18.5 p -63.65 -45.57 89.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.119 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.51 -49.22 76.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.603 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 18.3 ttm -58.01 -48.13 80.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.479 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.51 -44.85 96.33 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.87 82.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.893 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.701 HH22 ' NH1' ' B' ' 45' ' ' ARG . 73.3 ttp85 -58.51 -45.22 89.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.251 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.507 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.7 mt-10 -61.43 -44.15 97.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.148 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.14 -42.61 96.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.443 . . . . 0.0 109.991 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.57 -41.79 89.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.188 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.556 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 18.3 m -56.65 -45.98 81.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.088 0.471 . . . . 0.0 109.877 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.19 -43.63 97.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.488 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.66 -43.52 93.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.38 -43.34 96.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.555 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -61.21 -38.84 88.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.697 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.05 -41.46 98.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.842 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.577 ' CD2' ' NZ ' ' A' ' 100' ' ' LYS . 59.7 m80 -59.81 -39.5 85.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.749 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -62.4 -39.11 92.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.015 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . 0.569 ' NZ ' ' CD2' ' C' ' 98' ' ' HIS . 98.3 mttt -65.03 -39.55 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.19 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.679 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 60.4 mt . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 120.62 0.248 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -64.55 -46.97 80.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 110.388 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.94 -38.12 85.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.315 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.07 -42.44 96.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.31 -45.53 96.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.98 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -58.9 -41.48 87.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.93 -42.78 96.72 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.7 -42.56 99.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 110.338 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.403 HG23 HD13 ' C' ' 12' ' ' ILE . 95.2 mt -62.93 -44.35 99.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.697 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.24 -44.19 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.011 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -61.12 -46.93 88.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.86 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -59.74 -44.82 93.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.154 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.71 -42.82 99.63 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.83 -43.06 99.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.87 79.63 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -60.92 -45.35 95.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -56.49 -44.78 80.98 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.96 -41.98 98.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.703 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.99 -48.75 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.507 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.1 m-85 -59.71 -39.94 86.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.529 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.95 90.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.4 88.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.635 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.51 -45.46 94.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.431 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.1 -41.8 75.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.32 -41.48 97.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.93 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.75 92.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.867 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -61.59 -28.63 69.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.052 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -81.15 -6.04 58.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.95 14.78 68.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.6 78.01 2.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 0.0 110.289 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -65.55 -34.57 78.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.525 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.95 -51.45 66.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.071 0.463 . . . . 0.0 110.702 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.74 81.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.327 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.69 78.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.457 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.6 -42.98 93.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.517 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.92 89.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.753 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 51.7 mtt -64.57 -41.26 96.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.555 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 98.8 mmm -63.54 -41.57 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.567 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -61.82 -47.37 85.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.406 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.97 -41.48 99.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.259 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.22 -46.14 91.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.71 ' NH1' HH22 ' C' ' 88' ' ' ARG . 61.8 ttm-85 -60.64 -42.56 97.16 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.35 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.83 -42.41 99.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.352 0.596 . . . . 0.0 110.591 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.65 98.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.271 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.7 mt -65.9 -39.4 90.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.726 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -60.63 -43.49 97.45 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.377 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.68 -39.59 93.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.013 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.82 -45.63 74.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.438 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.678 ' CD2' HD21 ' D' ' 312' ' ' ASN . 84.5 t60 -61.26 -39.1 89.09 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.324 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.62 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.276 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.92 -43.55 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.029 0.442 . . . . 0.0 110.01 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -60.96 -43.13 99.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.309 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.7 m -57.74 -42.84 84.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.154 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.71 -38.12 89.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.507 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.96 -27.09 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.835 -179.808 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' SER . . . . . 0.505 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 91.7 p . . . . . 0 C--O 1.226 -0.136 0 CA-C-O 121.085 0.469 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.35 -42.83 99.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.669 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.38 -47.26 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 130.05 3.34 . . . . 0.0 110.647 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.505 ' H ' ' HG ' ' C' ' 71' ' ' SER . 94.4 mt -66.23 -40.6 90.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.74 -47.43 91.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.212 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.82 -44.29 94.1 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.303 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.4 89.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.796 0.331 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.13 -41.3 99.29 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 42.6 tp -57.19 -46.7 82.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.584 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.4 ' HD1' HG12 ' C' ' 12' ' ' ILE . 46.7 m170 -67.5 -46.98 71.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.768 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.41 -45.58 93.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.795 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -61.39 -42.88 99.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.341 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 83' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 18.8 p -64.23 -45.1 89.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.213 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -62.99 -48.53 78.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 85' ' ' MET . . . . . 0.403 ' HE2' HD22 ' D' ' 312' ' ' ASN . 18.3 ttm -58.44 -48.04 82.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.471 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.6 -44.81 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.169 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.88 82.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.928 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . 0.71 HH22 ' NH1' ' C' ' 45' ' ' ARG . 73.1 ttp85 -58.57 -45.01 89.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.24 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.48 -44.33 97.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.189 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.0 -42.65 97.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.201 0.525 . . . . 0.0 110.043 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 77.1 mt -60.53 -41.71 88.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.374 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 92' ' ' THR . . . . . 0.555 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 18.3 m -56.78 -45.77 81.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.08 0.467 . . . . 0.0 109.981 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.47 -43.2 98.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.575 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.03 -43.4 95.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.46 -43.16 96.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.557 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -61.21 -38.76 87.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.797 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 39.8 mt -62.02 -41.78 98.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.921 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.569 ' CD2' ' NZ ' ' B' ' 100' ' ' LYS . 60.6 m80 -59.47 -39.86 85.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.801 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.23 -39.03 91.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.096 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.83 -39.92 94.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.205 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.319 179.828 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.505 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 121.893 0.854 . . . . 0.0 108.951 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.79 142.98 36.68 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.94 156.28 38.59 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.005 -1.059 . . . . 0.0 109.516 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.07 149.25 28.62 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.23 152.24 19.04 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.021 -1.049 . . . . 0.0 108.393 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.81 144.36 19.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.66 136.6 36.96 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 122.178 0.99 . . . . 0.0 110.137 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -85.0 114.32 24.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.86 -4.2 19.48 Favored 'General case' 0 C--N 1.267 -3.016 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.913 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.77 85.64 Favored Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 119.707 -1.871 . . . . 0.0 110.683 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -45.46 -47.64 12.85 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 124.772 3.648 . . . . 0.0 114.163 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.13 27.54 6.57 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 116.062 -2.255 . . . . 0.0 108.815 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.04 -142.08 48.39 Favored Glycine 0 N--CA 1.497 2.732 0 C-N-CA 117.688 -2.196 . . . . 0.0 109.608 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.6 tp -90.08 68.07 7.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.934 -1.333 . . . . 0.0 109.494 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.608 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.3 p80 -58.33 176.91 0.15 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 117.851 -1.54 . . . . 0.0 112.152 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 3.0 p -44.06 -65.44 0.51 Allowed 'General case' 0 N--CA 1.505 2.317 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 -176.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.486 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.3 tmt_? -56.16 -51.11 83.31 Favored Pre-proline 0 N--CA 1.493 1.711 0 C-N-CA 120.185 -0.606 . . . . 0.0 112.457 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.14 -32.2 63.74 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 120.584 0.856 . . . . 0.0 111.543 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.88 86.86 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.176 -0.953 . . . . 0.0 109.486 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.64 72.53 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -64.0 -39.41 94.05 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 118.024 -1.471 . . . . 0.0 109.476 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.55 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.67 -45.35 93.22 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.584 1.183 . . . . 0.0 108.677 -177.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.68 -42.18 95.11 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.68 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.91 -40.26 96.08 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.308 -0.87 . . . . 0.0 109.779 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.46 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.71 80.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.429 -0.794 . . . . 0.0 109.623 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.02 91.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.588 -1.32 . . . . 0.0 109.382 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.3 -16.17 42.98 Favored 'General case' 0 N--CA 1.512 2.632 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.99 -10.48 86.23 Favored Glycine 0 N--CA 1.479 1.512 0 O-C-N 119.926 -1.734 . . . . 0.0 109.34 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.53 143.31 32.89 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.323 -1.693 . . . . 0.0 110.0 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.52 -30.16 59.7 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.154 -0.966 . . . . 0.0 112.303 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.84 158.57 10.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 119.826 -1.796 . . . . 0.0 112.789 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.26 35.44 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 102.853 -3.018 . . . . 0.0 102.853 171.265 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.77 136.63 60.26 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 CA-C-O 122.216 1.007 . . . . 0.0 109.258 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.408 HG23 ' N ' ' D' ' 335' ' ' VAL . 94.0 m -124.97 143.22 51.0 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-O 123.1 1.429 . . . . 0.0 109.984 178.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.408 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.08 129.98 61.37 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.731 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 173.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 70.9 m -127.47 119.55 26.34 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.887 -1.133 . . . . 0.0 108.979 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.52 122.73 39.6 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.525 -0.734 . . . . 0.0 109.907 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.64 39.01 24.16 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.879 -1.138 . . . . 0.0 112.764 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 10.99 83.6 Favored Glycine 0 N--CA 1.502 3.044 0 O-C-N 119.956 -1.715 . . . . 0.0 112.533 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.82 136.3 54.53 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 177.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.79 158.57 33.02 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.784 1.754 . . . . 0.0 112.458 -176.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.37 31.32 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 112.49 -2.141 . . . . 0.0 108.572 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.666 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.6 136.02 48.88 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.01 -6.73 47.45 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.705 -1.247 . . . . 0.0 110.735 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.666 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.63 12.99 31.71 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.651 -1.281 . . . . 0.0 109.364 -177.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.1 t -133.06 104.15 6.38 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.241 1.019 . . . . 0.0 110.167 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.9 tp -57.21 -37.91 72.91 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.952 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -58.9 -51.36 70.36 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.618 -1.301 . . . . 0.0 113.039 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.11 -32.37 70.37 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.512 -1.992 . . . . 0.0 109.254 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.8 -33.78 75.91 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.989 -177.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -67.59 -10.48 52.35 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.697 -0.627 . . . . 0.0 109.96 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.7 p -89.87 -7.63 53.79 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 118.124 -1.43 . . . . 0.0 110.849 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.43 159.32 15.3 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.185 -0.947 . . . . 0.0 110.157 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.85 2.97 Favored Glycine 0 N--CA 1.484 1.865 0 N-CA-C 106.923 -2.471 . . . . 0.0 106.923 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.64 47.39 1.73 Allowed 'General case' 0 C--N 1.309 -1.163 0 O-C-N 120.694 -1.474 . . . . 0.0 107.431 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 68.8 p -81.42 172.57 13.38 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.758 -1.177 . . . . 0.0 109.305 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.68 140.92 57.3 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.844 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.38 -3.1 79.08 Favored Glycine 0 N--CA 1.501 3.014 0 C-N-CA 120.007 -1.092 . . . . 0.0 111.329 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.5 135.93 34.03 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.924 -1.339 . . . . 0.0 110.597 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.8 t -96.56 123.68 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.1 160.08 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.417 -1.713 . . . . 0.0 110.602 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 89.7 m -108.91 128.38 54.87 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.491 -1.38 . . . . 0.0 107.631 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.88 121.41 60.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.403 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.25 50.72 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -179.579 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.38 47.18 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.696 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.505 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.83 6.45 Favored 'General case' 0 C--N 1.288 -2.076 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.013 178.133 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.23 40.14 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 118.014 -2.041 . . . . 0.0 110.353 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.45 -40.62 83.1 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.361 -0.92 . . . . 0.0 112.155 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.07 36.84 3.53 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 115.895 -2.322 . . . . 0.0 108.586 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.43 -33.48 65.88 Favored 'General case' 0 N--CA 1.521 3.12 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 -174.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.462 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.6 27.28 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 119.545 -1.972 . . . . 0.0 110.982 -176.569 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.775 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.73 97.8 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.52 77.56 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 117.481 -1.688 . . . . 0.0 110.001 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 65.9 t -66.88 -42.17 88.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.234 1.016 . . . . 0.0 109.268 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.94 -47.86 76.81 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 122.1 0.953 . . . . 0.0 108.783 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.775 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.85 -38.22 76.4 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.747 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.65 -28.61 58.81 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.372 -1.455 . . . . 0.0 110.899 -174.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.31 62.73 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.46 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.2 -45.15 84.04 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 118.987 -1.085 . . . . 0.0 110.605 177.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.41 -37.38 85.56 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.835 -1.166 . . . . 0.0 111.521 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.86 61.67 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.155 -0.965 . . . . 0.0 110.28 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.8 -32.33 46.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.554 -0.716 . . . . 0.0 111.401 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.97 125.43 12.01 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.31 2.005 . . . . 0.0 112.879 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.913 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.1 tt0 . . . . . 0 C--N 1.278 -2.532 0 CA-C-N 111.141 -2.754 . . . . 0.0 110.097 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.52 -47.36 79.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.919 0.39 . . . . 0.0 110.315 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.06 -36.57 82.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.231 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.07 -42.01 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.365 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.4 t -60.37 -45.12 97.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.952 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -58.83 -41.15 86.2 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.54 97.41 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.96 -43.51 98.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.212 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.08 -44.23 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.843 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.81 -44.39 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.001 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.416 ' C ' ' OD1' ' A' ' 14' ' ' ASN . 48.6 t-20 -61.74 -46.59 88.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.756 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.494 ' OG ' ' OG ' ' A' ' 84' ' ' SER . 37.1 t -60.1 -44.42 94.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.016 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.05 -42.4 99.61 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.054 -1.219 . . . . 0.0 110.054 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.89 -42.29 97.52 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -49.53 76.99 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.27 -46.22 90.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -54.24 -44.04 71.4 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.5 -42.71 98.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.677 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.64 -49.69 76.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.43 -41.9 90.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.598 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.4 90.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.776 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.3 89.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.702 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.65 -45.5 93.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.483 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.51 -41.57 73.29 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.07 -42.02 97.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.838 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.46 -43.71 93.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.705 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.71 -29.6 69.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.22 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -83.21 -4.94 58.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.458 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.73 16.16 77.97 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.65 81.28 3.49 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.755 0.312 . . . . 0.0 110.312 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -63.65 -34.8 78.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.71 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.982 0.42 . . . . 0.0 110.706 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.84 81.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.87 77.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.627 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -60.32 -43.36 96.44 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.662 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.84 98.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.792 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.3 mtt -65.79 -40.46 91.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.483 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 83.6 mtp -61.3 -43.98 97.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.604 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.38 -43.55 98.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.007 0.432 . . . . 0.0 110.534 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.17 -42.86 96.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.25 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.7 -48.05 83.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -59.95 -43.37 95.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.329 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.33 -42.57 98.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.125 0.488 . . . . 0.0 110.524 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.35 96.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.25 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.588 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 90.0 mt -65.21 -39.97 93.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.641 179.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -61.43 -41.81 97.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.249 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -64.61 -39.54 93.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.136 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.02 -45.69 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.462 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -61.17 -39.4 90.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.36 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' A' ' 56' ' ' THR . 41.1 mt -60.41 -43.46 96.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.331 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.58 -42.9 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.065 0.46 . . . . 0.0 110.05 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -59.48 -44.98 92.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.251 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 53' ' ' LEU . 39.9 p -57.51 -40.48 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.068 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.97 -40.9 95.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.504 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.42 -30.44 71.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.628 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.6 mt -84.98 -32.64 7.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 179.787 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.956 0.408 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.453 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 77.7 p -130.26 162.35 29.15 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -58.54 -42.85 88.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.61 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.5 t -63.12 -48.2 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.634 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.453 ' H ' ' HG ' ' A' ' 71' ' ' SER . 83.8 mt -62.75 -40.88 98.63 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.86 -47.61 90.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.148 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -58.62 -46.07 87.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.261 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.47 94.11 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.795 0.331 . . . . 0.0 110.681 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.5 -40.24 96.56 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.159 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.3 tp -58.66 -47.13 85.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.413 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -68.44 -48.55 64.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.789 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.13 -45.38 93.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.819 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.35 -44.43 97.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.159 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.6 p -62.03 -45.84 91.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.081 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.494 ' OG ' ' OG ' ' A' ' 15' ' ' SER . 72.7 m -62.37 -47.52 83.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.392 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.75 -48.01 82.67 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.64 0.257 . . . . 0.0 110.53 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.56 -44.81 96.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.87 0.367 . . . . 0.0 110.127 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.74 87.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.85 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.588 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 8.8 tmm_? -58.45 -45.55 88.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.078 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.13 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.053 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.72 -42.95 97.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.238 0.542 . . . . 0.0 109.878 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.7 mt -60.11 -41.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.304 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.1 m -57.31 -45.81 83.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.007 0.432 . . . . 0.0 109.883 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.61 -43.68 96.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.538 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.548 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 88.2 mt -59.67 -43.11 94.09 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.32 -42.86 95.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.594 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.16 -40.78 91.1 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.17 -42.31 99.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.908 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.548 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.3 m80 -59.21 -41.99 89.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -61.46 -40.88 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.171 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -65.64 -37.58 86.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.219 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 179.849 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.61 0.243 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.69 -46.93 80.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.882 0.372 . . . . 0.0 110.329 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.33 -36.4 81.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.169 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.3 -42.07 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.16 -44.99 96.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.91 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.03 -41.57 88.11 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.46 -41.72 97.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.74 -43.56 98.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.757 0.313 . . . . 0.0 110.34 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.31 -44.04 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.664 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.85 -44.61 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.918 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' B' ' 14' ' ' ASN . 49.6 t-20 -61.64 -46.74 88.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.833 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.495 ' OG ' ' OG ' ' B' ' 84' ' ' SER . 38.3 t -59.91 -44.58 94.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.135 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.76 -42.44 99.69 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.8 -42.4 97.72 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -49.56 76.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.888 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.38 -45.97 91.64 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -54.51 -44.0 72.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.43 -42.92 98.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.72 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.71 76.46 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.3 -42.0 90.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.677 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.62 90.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.715 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.48 89.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.635 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.32 -45.66 93.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.321 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.59 -41.48 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.551 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.16 -41.97 97.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.903 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.65 93.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.706 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.73 -30.0 69.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.01 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -83.08 -4.93 58.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.32 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.9 16.11 77.74 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.55 81.5 3.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.32 . . . . 0.0 110.303 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -64.07 -34.49 78.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -47.8 82.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 110.793 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.43 -35.77 81.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.44 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.96 77.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.509 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.18 -43.31 95.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.573 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.87 98.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.724 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 60.6 mtt -65.93 -40.41 91.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.464 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 83.3 mtp -61.26 -44.06 97.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.603 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.41 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.24 -43.15 95.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.306 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -60.54 -47.83 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.541 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -60.27 -43.21 96.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.343 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.2 mmm -61.19 -42.48 98.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.309 0.576 . . . . 0.0 110.665 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.61 95.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.179 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.587 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 89.4 mt -64.97 -40.25 94.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.77 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.0 -41.96 97.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.36 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.71 -39.46 93.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.132 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.88 76.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.444 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.14 -39.18 89.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.332 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.489 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.7 mt -60.68 -43.23 97.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.314 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.7 -43.09 93.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.034 0.445 . . . . 0.0 110.022 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -59.38 -44.82 92.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.209 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.489 ' OG1' ' O ' ' B' ' 53' ' ' LEU . 40.2 p -57.63 -40.83 80.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.005 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.72 -41.16 96.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.858 0.361 . . . . 0.0 110.514 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.77 -31.26 72.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.709 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 84.3 mt -84.36 -32.74 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.769 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.544 -179.896 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.859 0.362 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.471 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 57.8 p -129.34 164.1 24.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 -178.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.78 -42.93 98.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.551 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.92 -47.23 94.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.601 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.471 ' H ' ' HG ' ' B' ' 71' ' ' SER . 84.8 mt -63.51 -40.45 97.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.083 0.468 . . . . 0.0 110.964 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.02 -47.26 92.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.251 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -59.33 -45.96 89.92 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.264 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.76 94.48 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.896 0.379 . . . . 0.0 110.4 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -63.3 -40.76 98.24 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.171 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.36 -46.75 85.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.39 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -68.85 -48.59 63.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.739 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.06 -45.24 94.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.36 -44.35 97.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.194 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 21.6 p -62.21 -45.61 92.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.156 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.495 ' OG ' ' OG ' ' B' ' 15' ' ' SER . 72.4 m -62.3 -47.96 81.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 64.9 ttp -58.38 -48.16 81.53 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.459 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.51 -44.85 96.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.121 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.3 88.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.843 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.587 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 8.8 tmm_? -59.0 -45.35 90.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.266 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.08 -43.51 98.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.189 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.8 -42.79 97.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.056 0.455 . . . . 0.0 110.025 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 74.7 mt -59.91 -41.82 87.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.207 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 70.8 m -56.8 -45.86 81.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.058 0.456 . . . . 0.0 109.887 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.38 -44.09 95.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.493 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.529 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 88.7 mt -59.32 -43.43 92.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.11 -43.04 95.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.543 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -59.78 -41.05 90.28 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.02 -42.72 99.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.792 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 65.0 m80 -58.77 -41.89 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.51 -41.06 96.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.114 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -65.57 -37.81 87.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.22 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 37.1 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.425 179.791 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.615 0.245 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.66 -47.13 79.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 0.0 110.425 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.04 -36.93 83.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.314 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.48 -42.3 95.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.355 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.34 -44.92 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.972 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.2 mtp -59.03 -41.49 87.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.55 -41.69 97.77 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.69 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.396 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.407 HD13 HG23 ' C' ' 12' ' ' ILE . 96.1 mt -63.27 -44.07 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.753 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.76 -44.49 98.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.065 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' C' ' 14' ' ' ASN . 49.4 t-20 -61.71 -46.79 88.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.736 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' SER . . . . . 0.494 ' OG ' ' OG ' ' C' ' 84' ' ' SER . 39.7 t -59.88 -44.25 94.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.17 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -42.6 99.39 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -63.68 -42.15 98.07 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.26 -49.77 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.42 -46.15 91.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.4 m -54.44 -44.14 72.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.16 -42.71 99.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.673 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.74 76.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.35 -41.96 90.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.541 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.63 -41.47 90.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.695 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.0 88.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.607 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.03 -45.36 93.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.427 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.7 -41.55 73.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.14 -41.89 97.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.868 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.56 -43.37 93.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.774 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.16 -29.57 69.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.088 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -83.18 -5.08 59.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.428 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.14 16.21 77.08 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.07 81.42 3.37 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.877 0.37 . . . . 0.0 110.256 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.84 -34.69 78.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -47.94 81.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.048 0.451 . . . . 0.0 110.72 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.99 81.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.365 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.7 -49.12 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.493 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -60.01 -43.42 95.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.541 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.08 97.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.728 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 59.9 mtt -65.54 -40.69 93.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 84.0 mtp -61.19 -44.07 97.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.628 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.44 -43.62 98.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.456 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.88 -43.05 97.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.4 m -60.76 -47.58 85.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.548 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -60.27 -43.29 96.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.405 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.3 -42.61 98.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.366 0.603 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.85 97.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.315 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.579 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 90.1 mt -64.98 -40.65 95.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.769 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -60.81 -41.68 96.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.354 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.55 -39.97 94.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.995 0.426 . . . . 0.0 110.011 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.67 -46.33 76.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.351 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.51 -39.2 86.92 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.359 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' C' ' 56' ' ' THR . 39.9 mt -60.91 -43.05 99.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.297 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.81 -42.96 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.062 0.458 . . . . 0.0 110.011 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -59.55 -44.91 93.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.217 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' C' ' 53' ' ' LEU . 40.6 p -57.48 -40.47 78.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.131 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.08 -41.08 95.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 0.0 110.435 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.94 -30.91 71.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.795 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 83.0 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.796 -179.863 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 71' ' ' SER . . . . . 0.461 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 54.0 p . . . . . 0 C--O 1.226 -0.146 0 CA-C-O 121.069 0.461 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.41 -42.19 99.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.622 -177.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.22 -47.5 91.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 130.151 3.381 . . . . 0.0 110.593 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.461 ' H ' ' HG ' ' C' ' 71' ' ' SER . 88.1 mt -65.54 -40.34 92.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.081 0.467 . . . . 0.0 110.99 177.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.3 -47.54 91.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.22 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.35 -46.05 89.7 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.32 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.84 94.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.896 0.379 . . . . 0.0 110.414 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.15 -40.64 98.17 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.331 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.26 -47.15 84.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.485 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -68.56 -48.88 63.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.734 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.73 -45.2 94.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.837 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.41 -44.47 97.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.335 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 22.8 p -62.11 -45.73 92.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.204 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.494 ' OG ' ' OG ' ' C' ' 15' ' ' SER . 72.8 m -62.2 -47.86 82.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.539 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.39 -48.12 81.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.687 0.279 . . . . 0.0 110.488 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.57 -44.74 96.46 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.195 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.8 -46.35 87.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.968 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . 0.579 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 8.8 tmm_? -59.11 -45.15 91.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.287 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.22 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.156 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.08 -42.57 96.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.193 0.52 . . . . 0.0 109.973 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.28 -41.36 86.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.353 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 75.4 m -56.9 -45.71 82.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.102 0.477 . . . . 0.0 109.963 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.93 -43.77 94.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.456 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.569 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 89.3 mt -59.41 -43.07 93.08 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.62 -42.7 95.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.613 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -59.96 -40.93 90.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.147 0.499 . . . . 0.0 109.74 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.05 -42.55 99.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.863 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 65.4 m80 -58.99 -41.89 88.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.733 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -61.6 -40.82 96.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.124 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.67 -37.59 86.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.224 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 36.6 mt . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.344 179.921 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.51 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 121.859 0.838 . . . . 0.0 108.925 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.8 143.0 36.65 Favored 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.35 38.68 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.007 -1.058 . . . . 0.0 109.556 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.13 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 152.38 18.9 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.114 -0.991 . . . . 0.0 108.41 178.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.9 144.28 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.65 136.62 36.92 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-O 122.132 0.967 . . . . 0.0 110.125 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.98 114.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.82 -4.34 19.39 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.91 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.47 141.86 85.94 Favored Pre-proline 0 N--CA 1.499 2.015 0 O-C-N 119.692 -1.88 . . . . 0.0 110.619 178.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.5 -47.68 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.747 3.631 . . . . 0.0 114.174 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.487 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.4 m-20 -102.16 27.62 6.51 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 116.038 -2.265 . . . . 0.0 108.743 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 58.9 -146.74 41.98 Favored Glycine 0 N--CA 1.496 2.694 0 C-N-CA 117.719 -2.182 . . . . 0.0 109.613 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.6 tp -87.43 79.56 8.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.902 -1.352 . . . . 0.0 109.517 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.644 ' HD1' ' HG1' ' D' ' 316' ' ' THR . 2.5 p80 -76.25 177.25 7.38 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 117.883 -1.527 . . . . 0.0 112.159 -178.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.644 ' HG1' ' HD1' ' D' ' 315' ' ' HIS . 6.6 p -36.14 -69.06 0.11 Allowed 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.507 ' H ' ' HG1' ' D' ' 316' ' ' THR . 7.3 tmm_? -56.18 -52.79 70.1 Favored Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 120.127 -0.629 . . . . 0.0 112.514 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.42 -32.26 60.64 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 120.768 0.979 . . . . 0.0 111.486 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.75 86.68 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.585 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.78 72.52 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -63.89 -39.41 94.12 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 117.924 -1.511 . . . . 0.0 109.543 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.551 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.61 -45.32 93.43 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 122.674 1.226 . . . . 0.0 108.762 -177.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . 0.617 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 67.3 t -62.67 -42.22 95.25 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.223 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.633 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . 0.439 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 97.4 mttt -63.98 -40.18 95.81 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.217 -0.927 . . . . 0.0 109.764 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.46 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.73 -39.73 80.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.432 -0.793 . . . . 0.0 109.624 177.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.0 91.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.649 -1.282 . . . . 0.0 109.468 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . 0.617 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.3 mttp -61.3 -16.28 44.03 Favored 'General case' 0 N--CA 1.511 2.599 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.84 -10.61 86.01 Favored Glycine 0 N--CA 1.48 1.605 0 O-C-N 119.948 -1.72 . . . . 0.0 109.308 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.3 32.89 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.3 -1.706 . . . . 0.0 109.977 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.4 p -75.49 -30.17 59.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.171 -0.955 . . . . 0.0 112.352 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.57 10.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 119.837 -1.789 . . . . 0.0 112.871 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.22 35.35 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 102.796 -3.039 . . . . 0.0 102.796 171.301 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.432 0 O-C-N 121.082 -1.011 . . . . 0.0 109.351 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.407 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.6 m -124.92 143.18 51.0 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-O 123.105 1.431 . . . . 0.0 110.014 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.407 ' N ' HG23 ' D' ' 334' ' ' THR . 85.7 t -108.07 130.0 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 70.9 m -127.49 119.51 26.23 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.867 -1.146 . . . . 0.0 108.977 -178.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.48 122.62 39.37 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.533 -0.729 . . . . 0.0 109.931 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 38.91 24.19 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.843 -1.161 . . . . 0.0 112.766 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.11 83.44 Favored Glycine 0 N--CA 1.503 3.117 0 O-C-N 119.998 -1.688 . . . . 0.0 112.512 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.9 136.22 54.59 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 177.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.77 158.56 33.01 Favored 'General case' 0 C--N 1.276 -2.629 0 CA-C-O 123.837 1.779 . . . . 0.0 112.375 -175.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.37 31.33 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 112.466 -2.152 . . . . 0.0 108.572 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.665 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.64 135.94 48.75 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 173.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.89 -6.82 47.67 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.794 -1.191 . . . . 0.0 110.73 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.665 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.5 13.01 31.39 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.69 -1.257 . . . . 0.0 109.359 -177.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.4 t -133.13 104.16 6.37 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 122.163 0.982 . . . . 0.0 110.116 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 58.3 tp -57.17 -37.96 72.89 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.98 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -58.92 -51.29 70.68 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.594 -1.316 . . . . 0.0 113.07 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.49 70.65 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 119.599 -1.938 . . . . 0.0 109.162 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.81 75.92 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.924 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -67.61 -10.47 52.34 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.676 -0.64 . . . . 0.0 109.967 -177.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.0 p -89.79 -7.72 53.77 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 118.105 -1.438 . . . . 0.0 110.911 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.39 159.32 15.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.24 -0.912 . . . . 0.0 110.111 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.9 2.97 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 106.878 -2.489 . . . . 0.0 106.878 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.1 mt -119.69 47.39 1.73 Allowed 'General case' 0 C--N 1.308 -1.207 0 O-C-N 120.678 -1.483 . . . . 0.0 107.393 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 34.7 p -81.48 172.51 13.42 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.786 -1.166 . . . . 0.0 109.231 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.68 140.9 57.31 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.855 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.47 -3.21 78.85 Favored Glycine 0 N--CA 1.501 2.996 0 C-N-CA 120.034 -1.079 . . . . 0.0 111.294 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.44 135.91 34.06 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.9 -1.353 . . . . 0.0 110.61 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.47 123.75 48.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.7 m -112.21 160.11 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.297 0 C-N-CA 117.413 -1.715 . . . . 0.0 110.684 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 91.6 m -108.88 128.4 54.89 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.541 -1.349 . . . . 0.0 107.549 175.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.88 121.28 60.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.29 50.69 Favored 'General case' 0 C--N 1.285 -2.223 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.555 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.45 47.17 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 118.467 -1.293 . . . . 0.0 109.732 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.51 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.23 110.77 6.41 Favored 'General case' 0 C--N 1.287 -2.122 0 C-N-CA 118.591 -1.243 . . . . 0.0 108.038 178.17 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.3 40.16 Favored Glycine 0 C--N 1.297 -1.637 0 C-N-CA 117.952 -2.07 . . . . 0.0 110.3 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.38 -40.62 82.83 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.3 -0.95 . . . . 0.0 112.153 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 115.883 -2.327 . . . . 0.0 108.542 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.58 65.88 Favored 'General case' 0 N--CA 1.521 3.08 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -174.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.471 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.64 27.5 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 119.544 -1.973 . . . . 0.0 110.944 -176.543 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.773 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.65 97.51 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.55 77.43 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 117.459 -1.696 . . . . 0.0 110.014 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.4 t -66.83 -42.14 88.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-O 122.202 1.001 . . . . 0.0 109.26 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.97 -47.83 76.94 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 122.046 0.927 . . . . 0.0 108.725 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.773 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.78 -38.35 76.68 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.729 -178.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.551 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.2 mt -75.62 -28.57 58.89 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.475 -1.39 . . . . 0.0 110.842 -174.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.46 70.75 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.427 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.99 -49.23 62.86 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.46 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.22 -45.22 84.06 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 119.06 -1.056 . . . . 0.0 110.579 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.36 -37.38 85.47 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.943 -1.098 . . . . 0.0 111.545 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.96 -31.79 61.55 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.135 -0.978 . . . . 0.0 110.228 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.91 -32.27 45.63 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.503 -0.748 . . . . 0.0 111.335 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.04 125.44 12.14 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 124.238 1.97 . . . . 0.0 112.888 178.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.91 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.9 tt0 . . . . . 0 C--N 1.277 -2.556 0 CA-C-N 111.158 -2.746 . . . . 0.0 110.106 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.497 0.189 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.81 -47.4 78.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.939 0.4 . . . . 0.0 110.313 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.81 -36.68 82.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.292 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.84 -42.37 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.367 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.41 -44.68 96.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.015 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.0 mtp -59.33 -42.1 90.67 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.89 -41.95 97.18 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.45 -42.88 98.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.21 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.9 -44.27 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.765 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.439 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 89.7 mt -63.3 -43.7 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.97 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -61.65 -46.06 91.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.813 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -60.38 -44.78 95.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.002 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.33 99.3 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -63.81 -44.67 92.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.14 -49.41 77.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.892 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.45 -45.9 91.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -55.1 -43.84 74.36 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.12 -41.45 98.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.648 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.44 79.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -60.35 -40.96 92.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.615 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.97 92.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.7 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.92 -42.59 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.653 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.43 -44.66 96.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.518 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -55.65 -42.57 75.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.12 -42.03 98.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.775 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.23 95.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.725 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.5 -29.07 69.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.101 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -79.66 -4.32 51.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.4 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 12.83 75.74 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -96.68 80.47 3.08 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.74 0.305 . . . . 0.0 110.29 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -65.12 -34.6 78.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.659 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.2 -48.41 80.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.064 0.459 . . . . 0.0 110.757 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.57 80.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.354 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.53 78.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.585 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.29 -42.39 98.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.596 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.63 98.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.774 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.72 -42.64 90.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.474 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.483 ' O ' ' OG ' ' A' ' 44' ' ' SER . 73.1 mtm -64.15 -41.0 97.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.681 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -61.58 -47.28 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.01 0.433 . . . . 0.0 110.605 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.7 -40.68 97.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.233 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.483 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.83 -46.46 89.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.68 -42.94 98.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.35 -42.59 98.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.231 0.538 . . . . 0.0 110.604 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.69 97.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.216 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.587 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 95.0 mt -65.51 -40.37 92.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.691 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -61.03 -41.69 97.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.345 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.79 -39.5 93.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.173 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.92 -44.16 77.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.409 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.561 ' CE1' ' CG2' ' A' ' 56' ' ' THR . 60.1 t-80 -62.11 -38.72 89.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.368 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.515 ' O ' ' OG1' ' A' ' 56' ' ' THR . 40.9 mt -61.02 -43.69 98.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.348 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.02 -43.36 92.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 110.0 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -60.6 -43.93 96.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.264 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.561 ' CG2' ' CE1' ' A' ' 52' ' ' HIS . 32.8 p -57.23 -41.53 79.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.002 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.01 -38.63 91.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.909 0.385 . . . . 0.0 110.574 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.63 -28.9 69.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.631 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.581 ' CD1' HE21 ' A' ' 78' ' ' GLN . 76.8 mt -89.91 -33.77 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.862 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.534 -179.753 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.992 0.425 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.439 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 85.0 p -136.43 172.09 13.52 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.61 -45.91 84.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.617 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.29 -47.66 88.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.888 0.375 . . . . 0.0 110.619 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 71' ' ' SER . 94.1 mt -63.49 -41.67 98.56 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -178.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.3 -47.93 88.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.221 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -58.95 -45.27 90.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.17 94.27 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.78 0.324 . . . . 0.0 110.673 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.581 HE21 ' CD1' ' A' ' 59' ' ' ILE . 85.3 mt-30 -63.39 -41.3 98.76 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.153 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.7 tp -57.31 -46.73 82.91 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.365 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -67.31 -46.71 72.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.743 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.42 -45.91 92.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.836 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.3 mmm -62.19 -43.87 97.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.141 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.5 p -64.08 -47.36 80.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -62.16 -48.8 78.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.476 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.95 -47.47 82.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.529 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.03 -45.93 91.4 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.125 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.7 80.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.849 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.587 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 7.7 tmm_? -57.86 -45.54 86.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.147 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' B' ' 23' ' ' TYR . 83.8 tt0 -61.8 -43.5 98.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.142 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.84 -42.51 97.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 109.823 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.8 mt -59.74 -41.7 86.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.274 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.9 m -58.32 -45.17 88.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.41 -43.86 97.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.583 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 91.5 mt -58.93 -43.16 91.11 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.415 HG23 HD13 ' A' ' 95' ' ' ILE . 92.0 mt -61.64 -42.42 94.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.495 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.39 -40.59 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.1 0.476 . . . . 0.0 109.741 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.52 -41.66 97.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.904 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 65.9 m80 -59.92 -38.84 83.52 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -63.19 -39.4 94.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.236 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.405 ' HZ3' ' CD2' ' B' ' 98' ' ' HIS . 97.9 mttt -65.22 -39.47 92.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.178 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.8 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.543 0.211 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -47.34 78.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 110.31 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.0 -36.56 82.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.193 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.61 -42.72 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.26 -45.01 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.829 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.8 mtp -59.15 -41.83 89.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.22 -42.15 96.47 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.12 -42.68 99.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.768 0.318 . . . . 0.0 110.339 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.4 -44.4 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.599 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.72 -44.34 99.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.863 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' B' ' 14' ' ' ASN . 52.3 t-20 -61.35 -46.06 91.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.806 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -60.33 -44.61 95.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.056 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.39 -41.85 99.28 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -64.29 -44.75 90.69 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.93 -49.53 76.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.915 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.39 -45.84 92.1 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 70.1 m -55.24 -43.72 74.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.13 -41.5 98.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.796 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.66 -48.69 78.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 24.0 m-85 -60.25 -40.48 90.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.717 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.29 94.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.711 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.36 84.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.68 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.7 -44.82 96.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.338 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -55.68 -42.29 74.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.25 -42.08 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.843 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.11 96.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.705 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.51 -28.89 69.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.079 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.0 -4.23 51.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.376 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.01 12.84 76.01 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.65 80.29 3.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.842 0.354 . . . . 0.0 110.294 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -65.19 -34.39 78.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.81 78.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 110.812 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.45 80.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.449 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.83 77.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.564 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -60.72 -42.88 98.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.8 99.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.7 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.75 -42.34 91.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.53 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.466 ' O ' ' OG ' ' B' ' 44' ' ' SER . 73.4 mtm -64.43 -41.06 96.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.62 -47.38 85.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.462 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -62.51 -40.86 98.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.315 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' B' ' 41' ' ' MET . 77.7 p -61.77 -46.62 88.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.488 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.48 -42.77 96.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.309 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.52 -42.71 99.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.285 0.565 . . . . 0.0 110.608 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.44 97.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.161 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.578 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 95.2 mt -65.93 -40.47 91.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.7 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -60.81 -41.53 95.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.329 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.13 -39.69 93.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.106 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.59 -44.23 78.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.454 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . 0.569 ' CE1' ' CG2' ' B' ' 56' ' ' THR . 60.2 t-80 -62.29 -38.65 90.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.281 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.506 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.9 mt -61.02 -43.73 98.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.372 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.07 -43.28 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 0.0 110.035 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.71 -44.03 97.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.243 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.569 ' CG2' ' CE1' ' B' ' 52' ' ' HIS . 32.3 p -57.1 -41.46 78.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.969 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.08 -38.6 91.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.922 0.391 . . . . 0.0 110.587 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -65.71 -28.73 69.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.689 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.579 ' CD1' HE21 ' B' ' 78' ' ' GLN . 76.2 mt -89.83 -33.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.576 -179.627 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 N--CA 1.462 0.159 0 CA-C-O 120.858 0.361 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.446 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 97.7 p -136.38 172.82 12.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.547 -178.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.81 -46.04 88.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.566 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.59 -46.58 94.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.643 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.446 ' H ' ' HG ' ' B' ' 71' ' ' SER . 94.6 mt -64.35 -41.0 96.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.996 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.5 -47.7 89.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.312 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.28 -45.59 90.84 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.275 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.19 95.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.87 0.366 . . . . 0.0 110.424 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.579 HE21 ' CD1' ' B' ' 59' ' ' ILE . 85.3 mt-30 -63.52 -41.37 98.5 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.286 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 53.9 tp -57.16 -46.54 82.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.397 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -67.57 -46.65 72.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.761 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.65 -45.32 94.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.9 mmm -62.75 -43.32 99.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.262 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 19.9 p -64.61 -47.41 78.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.129 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.2 -48.23 80.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.597 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.19 -47.86 82.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.522 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.79 -45.81 92.24 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.2 82.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.932 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.578 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 7.8 tmm_? -58.53 -45.17 89.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.278 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.475 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 83.7 tt0 -62.01 -43.67 98.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.146 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.8 -42.24 97.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 110.056 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 75.8 mt -59.85 -41.93 87.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.167 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.4 m -57.9 -45.49 86.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.087 0.47 . . . . 0.0 109.846 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.31 -43.98 97.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.466 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.543 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 90.9 mt -58.71 -42.95 89.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.87 -42.66 95.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.515 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.11 -40.53 94.1 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.58 -41.83 97.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.832 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.2 m80 -59.74 -38.63 82.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.748 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -63.45 -39.58 94.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.14 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.18 -39.1 92.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.183 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.7 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.397 179.73 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.609 0.242 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.84 -47.41 78.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.379 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.75 -36.5 82.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.383 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.8 -42.63 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.24 -44.9 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.029 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.3 -41.95 90.19 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.35 96.78 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.84 -42.8 99.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.381 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.12 -44.17 99.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.619 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.12 -44.23 99.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.99 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' C' ' 14' ' ' ASN . 52.0 t-20 -61.19 -46.52 90.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.852 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.6 t -60.02 -44.7 94.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.189 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.83 99.44 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.42 -45.16 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.4 -49.99 74.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.14 -45.82 91.73 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -55.28 -43.91 75.18 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.85 -41.34 97.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.7 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.97 78.22 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.475 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.1 m-85 -60.12 -41.03 91.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.531 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.48 91.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.745 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 -42.31 83.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.641 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.72 -44.44 96.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.439 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.07 -42.28 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.53 -41.35 98.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.897 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.41 -43.78 96.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.823 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.17 -29.09 69.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.034 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -79.37 -4.8 52.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.468 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.62 12.18 75.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.03 80.46 3.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.75 0.31 . . . . 0.0 110.332 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -65.22 -34.57 78.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.558 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.24 80.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.724 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.35 -35.15 79.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.375 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.06 -48.56 78.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.493 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -60.74 -43.24 98.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.624 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.09 99.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.755 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.36 -42.66 92.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.549 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.476 ' O ' ' OG ' ' C' ' 44' ' ' SER . 73.6 mtm -64.17 -41.24 97.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.571 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.51 -47.63 84.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.428 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.29 -40.71 97.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.35 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.7 p -61.95 -46.38 89.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.502 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.92 -42.54 98.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.313 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.5 -42.97 99.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.353 0.597 . . . . 0.0 110.542 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.83 98.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.354 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.582 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 94.1 mt -65.74 -40.43 92.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -61.06 -41.5 96.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.368 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -64.65 -40.16 94.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.015 0.436 . . . . 0.0 110.05 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -44.48 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.369 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.569 ' CE1' ' CG2' ' C' ' 56' ' ' THR . 60.1 t-80 -61.77 -38.71 89.06 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.274 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . 0.502 ' O ' ' OG1' ' C' ' 56' ' ' THR . 40.7 mt -61.3 -43.57 98.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.271 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.93 -43.36 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.045 0.45 . . . . 0.0 109.972 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.81 -43.95 97.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.245 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' THR . . . . . 0.569 ' CG2' ' CE1' ' C' ' 52' ' ' HIS . 33.9 p -57.13 -41.35 78.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.134 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.26 -38.66 92.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.936 0.398 . . . . 0.0 110.48 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -65.34 -28.98 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.578 ' CD1' HE21 ' C' ' 78' ' ' GLN . 77.0 mt . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.835 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 71' ' ' SER . . . . . 0.419 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 93.0 p . . . . . 0 C--O 1.227 -0.081 0 CA-C-O 121.035 0.445 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.66 -45.02 95.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.637 -177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.73 -46.87 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 130.06 3.344 . . . . 0.0 110.657 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.419 ' H ' ' HG ' ' C' ' 71' ' ' SER . 95.6 mt -66.48 -40.93 89.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.78 -48.22 88.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.232 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.28 -45.11 92.13 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.292 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.08 94.46 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.864 0.364 . . . . 0.0 110.383 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . 0.578 HE21 ' CD1' ' C' ' 59' ' ' ILE . 85.1 mt-30 -63.82 -41.2 97.92 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.236 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 tp -57.19 -46.64 82.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.492 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -67.59 -46.78 71.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.704 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -61.44 -45.74 93.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.803 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.3 -43.59 98.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.345 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.7 p -64.41 -47.65 78.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.171 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -61.84 -48.43 80.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.609 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -58.1 -47.95 81.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.516 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.58 -46.04 91.59 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.178 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.54 81.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.901 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . 0.582 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 7.8 tmm_? -58.24 -45.16 88.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.227 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.93 -43.75 98.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.158 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.84 -42.26 97.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.12 0.486 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 76.4 mt -59.72 -41.93 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.407 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 89.3 m -57.88 -45.32 86.54 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.973 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.48 -44.09 97.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.459 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.516 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 91.0 mt -58.43 -43.22 88.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.428 HD13 HG23 ' C' ' 95' ' ' ILE . 92.2 mt -61.58 -42.8 95.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.615 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -60.99 -40.52 93.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.724 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.89 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 66.3 m80 -60.07 -38.42 82.81 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -63.53 -39.72 95.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.156 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.99 -39.13 93.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.199 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.3 mt . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.315 179.725 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.516 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.929 0.871 . . . . 0.0 108.935 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.465 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.76 143.05 36.76 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.34 38.61 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.064 -1.022 . . . . 0.0 109.502 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.12 28.41 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.24 19.0 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.412 178.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.75 144.39 19.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.61 37.0 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.115 0.96 . . . . 0.0 110.145 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.96 114.29 24.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.9 -4.26 19.35 Favored 'General case' 0 C--N 1.265 -3.07 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.901 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.8 85.83 Favored Pre-proline 0 N--CA 1.499 2.012 0 O-C-N 119.672 -1.892 . . . . 0.0 110.608 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.52 -47.63 13.0 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 124.728 3.619 . . . . 0.0 114.152 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.606 ' CB ' ' NE2' ' C' ' 52' ' ' HIS . 1.5 p30 -102.22 27.72 6.46 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 116.014 -2.274 . . . . 0.0 108.743 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 57.14 -148.13 33.41 Favored Glycine 0 N--CA 1.496 2.675 0 C-N-CA 117.659 -2.21 . . . . 0.0 109.631 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -83.53 82.71 8.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.846 -1.385 . . . . 0.0 109.529 -177.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.549 ' HD1' ' HG1' ' D' ' 316' ' ' THR . 3.1 p80 -78.92 179.03 7.53 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 117.857 -1.537 . . . . 0.0 112.129 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.549 ' HG1' ' HD1' ' D' ' 315' ' ' HIS . 7.6 p -36.92 -68.77 0.13 Allowed 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 -176.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.474 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.9 tmm_? -58.43 -51.59 80.73 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 120.148 -0.621 . . . . 0.0 112.499 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.9 Cg_endo -64.72 -32.19 57.44 Favored 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 120.939 1.093 . . . . 0.0 111.468 -177.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.86 86.86 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.231 -0.918 . . . . 0.0 109.482 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.65 72.42 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -64.02 -39.42 94.05 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 117.953 -1.499 . . . . 0.0 109.427 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.548 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.61 -45.32 93.39 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.677 1.227 . . . . 0.0 108.738 -177.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.68 -42.27 95.43 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.215 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.649 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . 0.44 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 97.2 mttt -63.83 -40.28 96.22 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.209 -0.932 . . . . 0.0 109.794 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.465 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.8 -39.66 80.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.477 -0.764 . . . . 0.0 109.559 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.09 -44.01 91.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.599 -1.313 . . . . 0.0 109.44 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.32 -16.18 43.25 Favored 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.61 86.1 Favored Glycine 0 N--CA 1.48 1.593 0 O-C-N 119.988 -1.695 . . . . 0.0 109.278 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.403 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.49 143.36 32.82 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.277 -1.72 . . . . 0.0 110.072 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.6 -30.18 59.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.223 -0.923 . . . . 0.0 112.231 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.72 158.51 10.14 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.873 -1.767 . . . . 0.0 112.88 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.18 35.32 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 171.315 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.66 136.54 60.51 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 CA-C-O 122.205 1.002 . . . . 0.0 109.335 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.404 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.7 m -124.86 143.14 50.99 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-O 123.114 1.435 . . . . 0.0 109.997 178.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.404 ' N ' HG23 ' D' ' 334' ' ' THR . 86.0 t -108.04 129.92 61.41 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 173.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.0 m -127.49 119.58 26.39 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.963 -1.086 . . . . 0.0 108.887 -178.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.58 39.22 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.582 -0.699 . . . . 0.0 109.953 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.78 39.01 24.63 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.913 -1.117 . . . . 0.0 112.73 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.61 10.94 83.7 Favored Glycine 0 N--CA 1.5 2.957 0 O-C-N 119.934 -1.729 . . . . 0.0 112.607 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.82 136.22 54.56 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 67.9 m -124.7 158.53 32.98 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.825 1.774 . . . . 0.0 112.429 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.69 151.37 31.35 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-N 112.498 -2.137 . . . . 0.0 108.57 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.663 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.55 135.9 48.88 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.95 -6.82 47.82 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.693 -1.254 . . . . 0.0 110.727 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.663 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.46 12.99 31.39 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.587 -1.321 . . . . 0.0 109.399 -177.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 95.4 p -133.11 104.15 6.37 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.226 1.012 . . . . 0.0 110.123 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.19 -37.88 72.83 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.997 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -58.86 -51.45 69.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.561 -1.337 . . . . 0.0 113.036 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.06 -32.38 70.45 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.544 -1.972 . . . . 0.0 109.176 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.8 -33.83 76.01 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.926 -177.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -67.53 -10.54 52.73 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.674 -0.641 . . . . 0.0 109.956 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.7 p -89.75 -7.69 53.92 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 118.151 -1.42 . . . . 0.0 110.911 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.38 159.26 15.33 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 110.188 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.61 104.86 2.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 106.933 -2.467 . . . . 0.0 106.933 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 78.9 mt -119.59 47.36 1.73 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 120.705 -1.468 . . . . 0.0 107.436 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 2.9 p -81.5 172.51 13.41 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.211 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -60.68 140.95 57.29 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.901 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.28 79.08 Favored Glycine 0 N--CA 1.501 2.968 0 C-N-CA 119.976 -1.107 . . . . 0.0 111.414 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.41 135.94 34.06 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.818 -1.401 . . . . 0.0 110.592 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.2 t -96.55 123.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.3 m -112.16 160.06 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 117.398 -1.721 . . . . 0.0 110.634 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.6 m -108.89 128.36 54.85 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 120.526 -1.359 . . . . 0.0 107.601 175.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.84 121.43 60.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.29 50.69 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.78 153.39 47.13 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.72 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.69 6.37 Favored 'General case' 0 C--N 1.287 -2.118 0 C-N-CA 118.563 -1.255 . . . . 0.0 108.088 178.14 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.3 -170.29 40.18 Favored Glycine 0 C--N 1.296 -1.68 0 C-N-CA 118.002 -2.047 . . . . 0.0 110.353 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.59 82.53 Favored 'General case' 0 C--N 1.276 -2.598 0 CA-C-N 114.42 -0.89 . . . . 0.0 112.234 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.04 36.78 3.55 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 115.862 -2.335 . . . . 0.0 108.62 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.45 -33.45 65.91 Favored 'General case' 0 N--CA 1.521 3.082 0 N-CA-C 116.906 2.188 . . . . 0.0 116.906 -174.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.483 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.67 27.56 Favored 'General case' 0 N--CA 1.509 2.484 0 O-C-N 119.569 -1.957 . . . . 0.0 110.946 -176.61 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.774 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.56 -40.66 97.56 Favored 'General case' 0 C--N 1.283 -2.293 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.52 77.53 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.464 -1.695 . . . . 0.0 110.039 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.77 -42.25 89.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 122.203 1.001 . . . . 0.0 109.298 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.93 -47.9 76.7 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.972 0.892 . . . . 0.0 108.75 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.774 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.8 m-70 -69.71 -38.32 76.89 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.8 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.548 HD22 ' CE1' ' D' ' 322' ' ' PHE . 81.1 mt -75.61 -28.64 58.95 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.367 -1.458 . . . . 0.0 110.897 -174.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.5 70.97 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.447 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.16 63.5 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.465 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.25 84.26 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 118.996 -1.082 . . . . 0.0 110.465 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.33 -37.42 85.54 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.919 -1.113 . . . . 0.0 111.538 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.67 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.068 -1.02 . . . . 0.0 110.274 -178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.81 -32.29 46.21 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.439 -0.788 . . . . 0.0 111.401 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 125.42 12.2 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 124.277 1.989 . . . . 0.0 112.914 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.901 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 33.6 tp10 . . . . . 0 C--N 1.277 -2.571 0 CA-C-N 111.192 -2.731 . . . . 0.0 110.173 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -64.68 -47.51 78.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.881 0.372 . . . . 0.0 110.226 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -67.21 -36.65 82.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.314 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.91 -42.41 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.354 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.4 -45.19 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.959 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.05 -42.02 89.27 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.65 -41.91 97.54 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.88 -43.16 99.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.252 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.32 -43.96 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.792 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.44 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 87.1 mt -63.73 -44.39 98.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.409 ' C ' ' OD1' ' A' ' 14' ' ' ASN . 50.5 t-20 -60.95 -45.94 92.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.856 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 t -60.78 -43.59 97.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.01 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.85 97.64 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.06 -44.21 96.45 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.35 -49.12 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.863 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.37 -45.44 93.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.57 -45.22 81.43 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.66 -41.7 97.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.71 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.66 -48.0 80.73 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -60.47 -41.16 93.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.551 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.11 -42.22 94.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.758 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.6 85.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.702 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.6 -44.97 96.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.447 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.4 -41.52 72.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.99 -41.1 95.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.816 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.48 94.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.743 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.15 -30.24 70.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.137 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -79.43 -4.61 51.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.474 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.86 13.09 75.9 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.95 80.8 3.02 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.776 0.322 . . . . 0.0 110.255 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -64.95 -34.55 78.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.646 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.88 77.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.978 0.418 . . . . 0.0 110.761 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.37 80.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.374 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.69 77.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.594 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -62.02 -42.36 99.08 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.623 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.95 99.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.775 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -65.43 -41.1 93.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.535 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.559 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 3.2 mmt -62.54 -41.09 98.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.653 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -62.11 -44.18 97.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.95 0.405 . . . . 0.0 110.469 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.17 -41.28 99.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.236 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.2 p -61.58 -45.58 93.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.63 -42.5 97.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.363 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.7 mtp -61.77 -41.95 98.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.51 . . . . 0.0 110.529 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.13 99.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.21 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.99 -39.88 90.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -60.82 -41.58 96.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.197 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.39 -39.91 92.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.016 0.436 . . . . 0.0 110.191 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.33 82.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.501 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -63.09 -38.28 90.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.373 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.15 -43.36 99.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.328 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.87 -43.44 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.0 110.04 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.43 -42.1 95.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.215 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.2 m -57.0 -43.48 81.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.972 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -60.32 -40.17 89.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 110.527 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.83 -39.08 80.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.737 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.84 -39.52 82.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.488 -179.238 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.895 0.379 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.9 p -135.0 170.68 15.54 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.1 tp -57.13 -45.25 83.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.78 -45.53 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.898 0.38 . . . . 0.0 110.552 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.2 mt -61.5 -39.99 92.95 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.66 -47.1 92.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.228 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -59.05 -45.81 89.84 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.269 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.64 99.62 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.655 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.499 ' OE1' ' OE2' ' B' ' 76' ' ' GLU . 85.7 mt-30 -62.56 -39.4 93.53 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.18 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.8 tp -57.87 -47.75 81.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.41 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -67.4 -48.26 67.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.671 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.35 -45.04 96.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.841 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.02 -43.25 99.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.213 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.2 p -63.94 -46.52 84.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.121 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.524 ' HG ' ' N ' ' A' ' 85' ' ' MET . 77.9 p -62.72 -49.88 73.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.441 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.524 ' N ' ' HG ' ' A' ' 84' ' ' SER . 66.2 ttp -57.72 -47.92 81.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.509 -178.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.65 -45.14 95.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.057 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -47.34 85.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.804 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -57.98 -45.88 86.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.133 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.34 -43.43 98.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.074 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.17 -42.94 96.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.0 109.774 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.31 -41.8 88.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.371 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.559 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 89.1 m -57.15 -45.56 83.47 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.54 -42.95 98.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.564 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.7 -43.27 94.17 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.27 -42.89 95.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.538 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.76 -39.37 88.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 109.709 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.16 -41.7 98.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.861 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -58.14 -40.81 82.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -60.34 -39.08 85.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.17 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.06 -36.19 83.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.183 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.591 0.234 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -65.11 -47.07 78.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.391 . . . . 0.0 110.355 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -67.33 -36.74 82.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.212 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.0 t -63.87 -42.64 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.346 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.6 t -60.2 -44.98 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.883 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -59.36 -42.0 90.57 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.19 97.58 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.3 mt -62.65 -43.12 99.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.788 0.328 . . . . 0.0 110.361 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.67 -43.82 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.6 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.74 -44.64 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.878 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' B' ' 14' ' ' ASN . 50.3 t-20 -60.79 -46.25 91.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.79 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.8 t -60.31 -43.82 96.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.108 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.95 -43.01 98.08 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.04 -44.42 95.93 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.98 -49.12 77.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.907 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -60.44 -45.54 93.27 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.51 -45.21 81.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.44 -42.18 98.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.618 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.42 -48.28 79.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.94 -41.41 91.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.737 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.79 93.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.699 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.52 84.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.643 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.71 -44.8 96.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.399 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.5 -41.74 73.49 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.83 -40.81 94.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.941 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.32 95.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.695 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.44 -29.89 70.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.115 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -79.93 -4.48 52.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.352 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.1 12.41 76.64 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.28 80.99 3.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.856 0.36 . . . . 0.0 110.314 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -65.23 -34.22 77.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.584 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.11 76.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.072 0.463 . . . . 0.0 110.818 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.37 80.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.399 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -48.87 77.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.56 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.91 -42.33 98.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.57 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.65 99.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.652 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.62 -40.95 93.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.551 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.569 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 3.2 mmt -62.67 -41.27 98.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.583 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.03 -44.28 97.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.457 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.99 -41.6 99.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.325 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.1 p -61.02 -45.98 92.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.5 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.61 -42.65 97.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.277 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.5 mtp -61.27 -42.13 98.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.359 0.599 . . . . 0.0 110.717 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.54 99.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.176 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.53 -40.08 92.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.749 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.57 -41.65 95.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.347 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.53 -39.72 92.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.218 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.37 -43.74 80.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.438 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.77 -38.27 89.93 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.283 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.15 -43.22 99.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.43 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.12 -43.32 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.001 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -60.49 -42.15 95.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.231 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 89.2 m -56.79 -43.69 81.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.968 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -60.29 -40.05 89.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.91 0.386 . . . . 0.0 110.547 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.95 -39.2 79.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.659 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.408 HD12 HG21 ' B' ' 59' ' ' ILE . 97.3 mt -67.74 -39.93 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.739 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 -179.189 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 120.809 0.338 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.7 p -134.64 171.62 14.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.601 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.25 -44.69 92.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.586 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.39 -44.88 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.646 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.66 -39.6 91.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.5 -47.57 90.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.311 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.499 ' OE2' ' OE1' ' A' ' 78' ' ' GLN . 51.0 tp10 -58.84 -45.84 89.1 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.326 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.26 99.4 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.921 0.391 . . . . 0.0 110.441 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.507 ' OE1' ' OE2' ' C' ' 76' ' ' GLU . 85.6 mt-30 -62.84 -39.07 93.22 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.25 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 44.3 tp -58.24 -47.54 83.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.407 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.71 -47.99 67.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.761 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.43 -45.14 95.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.04 -43.52 98.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.181 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.9 p -63.49 -46.94 83.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.172 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.495 ' HG ' ' N ' ' B' ' 85' ' ' MET . 76.8 p -62.3 -49.85 73.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.641 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.495 ' N ' ' HG ' ' B' ' 84' ' ' SER . 66.0 ttp -57.59 -48.11 80.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.416 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.48 -45.18 95.35 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.168 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.26 86.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.831 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.12 -45.43 87.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.247 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.94 -43.19 99.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.182 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.31 -42.56 96.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.065 0.459 . . . . 0.0 110.035 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.6 -41.61 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.237 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.569 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 90.0 m -57.38 -45.0 84.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.092 0.472 . . . . 0.0 109.929 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.2 -42.52 96.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.499 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.11 -43.0 95.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.49 -42.78 95.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.517 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.93 -39.44 89.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.09 -41.62 98.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.766 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -58.18 -40.43 81.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.795 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -60.98 -38.55 86.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.15 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.45 -36.29 83.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.247 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.353 179.639 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.568 0.223 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -64.83 -47.46 77.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 0.0 110.371 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -66.79 -36.98 83.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.286 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.84 -42.29 95.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.407 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.42 -45.01 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.97 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mtp -59.25 -42.3 90.8 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.93 97.94 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 32.8 mt -62.79 -43.12 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 110.34 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.403 HG22 HD11 ' C' ' 12' ' ' ILE . 96.9 mt -63.54 -43.8 98.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.754 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.64 -44.46 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.037 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' C' ' 14' ' ' ASN . 49.7 t-20 -61.1 -45.93 92.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.752 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -60.72 -43.58 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.147 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.16 -43.0 97.77 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -62.88 -44.24 96.63 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.46 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.75 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.58 -45.06 95.35 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -57.0 -44.85 83.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.89 -41.57 98.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.741 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.71 -47.96 80.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -60.53 -41.37 94.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.506 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.19 93.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.47 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.568 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.68 -44.98 95.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.478 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.12 -42.13 72.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.67 -40.89 93.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.896 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.95 94.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.796 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.73 -29.8 70.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.102 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -79.75 -4.54 52.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.378 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.97 12.81 76.15 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -96.69 80.64 3.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.796 0.331 . . . . 0.0 110.273 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -65.01 -34.52 78.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.489 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.81 77.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.026 0.441 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.8 -35.26 80.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.404 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.81 77.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.436 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -61.76 -42.67 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.583 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.741 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.16 -41.15 94.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.527 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.566 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 3.3 mmt -62.46 -41.23 98.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.607 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.06 -44.47 96.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.437 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.86 -41.15 99.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.323 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.3 p -61.89 -45.24 94.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.537 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.09 -42.4 98.44 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.313 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.58 -42.51 98.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.404 0.621 . . . . 0.0 110.523 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.59 99.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.369 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.86 -39.98 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.769 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.79 -41.41 95.54 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.411 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.41 -40.16 93.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.08 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.93 81.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.395 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.606 ' NE2' ' CB ' ' D' ' 312' ' ' ASN . 84.6 t60 -62.53 -38.3 89.45 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.377 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.41 -43.22 99.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.266 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.02 -43.2 96.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.003 0.43 . . . . 0.0 109.97 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.51 -42.24 95.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.273 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 91.4 m -56.9 -43.43 81.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.126 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -60.42 -39.89 89.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.511 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.84 -39.31 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.801 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.406 HD12 HG21 ' C' ' 59' ' ' ILE . 97.3 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 37.6 p . . . . . 0 C--O 1.227 -0.08 0 CA-C-O 121.082 0.468 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.34 -45.33 91.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.721 -177.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.35 -45.22 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 130.075 3.35 . . . . 0.0 110.621 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 38.2 mt -63.44 -39.44 94.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.086 0.469 . . . . 0.0 110.971 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.82 -48.2 88.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.244 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.507 ' OE2' ' OE1' ' B' ' 78' ' ' GLN . 50.4 tp10 -58.84 -45.83 89.12 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.34 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.48 99.51 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.83 0.348 . . . . 0.0 110.434 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.77 -39.09 93.09 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.291 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 44.8 tp -58.25 -47.52 83.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.472 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -67.81 -48.21 66.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 mt -60.99 -45.28 95.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.804 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.91 -43.15 99.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.392 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.9 p -64.28 -46.34 84.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.186 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.512 ' HG ' ' N ' ' C' ' 85' ' ' MET . 78.2 p -62.84 -49.45 74.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.614 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 85' ' ' MET . . . . . 0.512 ' N ' ' HG ' ' C' ' 84' ' ' SER . 66.2 ttp -57.87 -48.09 80.82 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.496 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.5 -45.35 94.61 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.109 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.29 85.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.979 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.28 -45.4 87.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.234 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.52 -43.6 98.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.155 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.99 -42.78 97.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.175 0.512 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . 0.425 HD12 HG22 ' C' ' 91' ' ' ILE . 78.6 mt -60.43 -41.58 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.422 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 92' ' ' THR . . . . . 0.566 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 90.6 m -57.36 -44.98 84.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 109.926 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.36 -42.38 96.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.476 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.26 -42.93 96.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.44 -43.0 96.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.528 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.52 -39.7 88.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.706 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.98 -41.5 98.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.89 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -58.08 -40.6 81.47 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.92 -38.73 86.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.07 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.29 -36.22 83.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.207 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.315 179.838 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.52 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.705 0 CA-C-O 121.8 0.81 . . . . 0.0 108.994 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.459 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.86 143.02 36.54 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.01 156.3 38.56 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.124 -0.985 . . . . 0.0 109.544 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.22 28.54 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.24 19.02 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.986 -1.071 . . . . 0.0 108.441 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.31 19.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.67 136.6 36.97 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.09 0.948 . . . . 0.0 110.197 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.34 24.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.93 -4.26 19.31 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.892 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.83 85.71 Favored Pre-proline 0 N--CA 1.499 2.021 0 O-C-N 119.629 -1.919 . . . . 0.0 110.602 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -45.58 -47.57 13.22 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 124.734 3.622 . . . . 0.0 114.123 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.544 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.5 m-20 -102.13 27.49 6.61 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 116.104 -2.238 . . . . 0.0 108.817 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.96 -142.29 47.47 Favored Glycine 0 N--CA 1.497 2.707 0 C-N-CA 117.692 -2.194 . . . . 0.0 109.548 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.8 tp -90.76 75.97 6.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.921 -1.34 . . . . 0.0 109.533 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.61 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.5 p80 -69.74 175.88 3.97 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.941 -1.503 . . . . 0.0 112.155 -178.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 65.1 p -39.07 -65.83 0.34 Allowed 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.432 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 2.0 tmm_? -57.08 -52.27 75.37 Favored Pre-proline 0 N--CA 1.493 1.71 0 C-N-CA 120.166 -0.614 . . . . 0.0 112.491 -177.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.54 -32.17 59.45 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 120.49 0.794 . . . . 0.0 111.524 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.94 -38.96 87.12 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.74 72.76 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.87 -39.41 94.14 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.955 -1.498 . . . . 0.0 109.539 177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.534 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.69 -45.33 93.28 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 122.63 1.205 . . . . 0.0 108.713 -177.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.6 -42.23 95.16 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.709 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.88 -40.32 96.26 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.271 -0.893 . . . . 0.0 109.793 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.465 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.74 -39.64 80.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.457 -0.777 . . . . 0.0 109.591 177.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.07 91.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.632 -1.292 . . . . 0.0 109.412 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.31 -16.19 43.29 Favored 'General case' 0 N--CA 1.51 2.573 0 O-C-N 121.299 -0.875 . . . . 0.0 113.361 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.62 86.05 Favored Glycine 0 N--CA 1.479 1.536 0 O-C-N 119.875 -1.765 . . . . 0.0 109.269 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.37 32.81 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.25 -1.735 . . . . 0.0 109.99 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.7 p -75.55 -30.11 59.62 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.202 -0.936 . . . . 0.0 112.359 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.82 158.63 10.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 119.838 -1.789 . . . . 0.0 112.79 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.583 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.01 130.2 35.27 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 102.813 -3.032 . . . . 0.0 102.813 171.26 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.65 136.67 60.12 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.381 0 CA-C-O 122.185 0.993 . . . . 0.0 109.299 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.405 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.9 m -125.04 143.16 51.05 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-O 123.123 1.44 . . . . 0.0 109.934 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.405 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.09 129.92 61.49 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.404 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.46 119.57 26.4 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.829 -1.169 . . . . 0.0 108.949 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.57 122.54 39.12 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.588 -0.695 . . . . 0.0 109.879 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.75 38.98 24.46 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.858 -1.151 . . . . 0.0 112.768 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.01 83.57 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 119.928 -1.732 . . . . 0.0 112.511 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.85 136.33 54.52 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.72 158.56 32.96 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-O 123.744 1.735 . . . . 0.0 112.504 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.38 31.33 Favored 'General case' 0 C--N 1.279 -2.497 0 CA-C-N 112.535 -2.121 . . . . 0.0 108.608 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.664 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 7.9 t -70.63 136.01 48.82 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 173.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.99 -6.77 47.64 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.702 -1.249 . . . . 0.0 110.707 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.664 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.43 12.94 31.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.615 -1.303 . . . . 0.0 109.386 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 89.6 p -133.13 104.16 6.37 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 122.176 0.988 . . . . 0.0 110.087 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.21 -37.95 72.99 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.961 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -58.81 -51.4 70.15 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.622 -1.298 . . . . 0.0 113.055 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.48 70.56 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 119.583 -1.948 . . . . 0.0 109.179 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.71 -33.77 75.78 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.004 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -67.66 -10.44 52.27 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.657 -0.652 . . . . 0.0 109.899 -177.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 40.9 p -89.8 -7.74 53.7 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.091 -1.444 . . . . 0.0 110.939 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 93.4 mt -93.31 159.35 15.3 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.168 -0.958 . . . . 0.0 110.127 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.76 104.81 2.97 Favored Glycine 0 N--CA 1.484 1.9 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.5 mt -119.57 47.42 1.71 Allowed 'General case' 0 C--N 1.31 -1.149 0 O-C-N 120.727 -1.455 . . . . 0.0 107.437 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 7.6 p -81.46 172.55 13.38 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.209 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -60.74 140.9 57.39 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.317 -0.953 . . . . 0.0 109.859 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.18 78.86 Favored Glycine 0 N--CA 1.501 3.024 0 C-N-CA 119.971 -1.109 . . . . 0.0 111.358 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.44 135.88 34.08 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 120.909 -1.347 . . . . 0.0 110.619 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.9 t -96.56 123.7 48.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 176.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.13 160.08 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 C-N-CA 117.4 -1.72 . . . . 0.0 110.658 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.404 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.9 128.45 54.93 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 120.509 -1.37 . . . . 0.0 107.603 175.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.87 121.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 176.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.26 50.71 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.44 47.16 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.464 -1.295 . . . . 0.0 109.693 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.52 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.81 6.44 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 118.62 -1.232 . . . . 0.0 108.099 178.148 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.25 40.12 Favored Glycine 0 C--N 1.296 -1.686 0 C-N-CA 118.003 -2.046 . . . . 0.0 110.378 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.52 -40.54 83.18 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 114.416 -0.892 . . . . 0.0 112.156 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.02 36.71 3.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 118.98 -2.325 . . . . 0.0 108.615 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.48 -33.46 65.96 Favored 'General case' 0 N--CA 1.522 3.129 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -173.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.482 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.69 27.42 Favored 'General case' 0 N--CA 1.509 2.501 0 O-C-N 119.549 -1.969 . . . . 0.0 110.956 -176.614 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.776 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.72 97.84 Favored 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.49 77.64 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 117.545 -1.662 . . . . 0.0 110.03 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 68.0 t -66.79 -42.26 89.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 122.253 1.025 . . . . 0.0 109.299 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.85 -47.96 76.36 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 122.015 0.912 . . . . 0.0 108.746 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.776 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.76 -38.36 76.73 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.717 -178.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.6 mt -75.51 -28.69 59.24 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.342 -1.474 . . . . 0.0 110.909 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.425 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.29 62.73 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.465 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.23 -45.21 84.09 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 118.985 -1.086 . . . . 0.0 110.516 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.31 -37.45 85.61 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.97 -1.081 . . . . 0.0 111.482 -177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.75 61.61 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.135 -0.978 . . . . 0.0 110.279 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.9 -32.37 45.75 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.512 -0.743 . . . . 0.0 111.324 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.49 12.33 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.396 2.046 . . . . 0.0 112.916 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.892 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.7 mm-40 . . . . . 0 C--N 1.278 -2.543 0 CA-C-N 111.108 -2.769 . . . . 0.0 110.124 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.84 -47.01 79.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.929 0.395 . . . . 0.0 110.296 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.66 -36.33 80.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.284 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.19 -41.9 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.404 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.2 t -60.56 -44.28 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.894 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.5 mtp -58.88 -41.44 87.11 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -42.34 97.91 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.2 mt -62.79 -42.89 99.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.245 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.08 -43.96 99.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.728 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.44 -44.33 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.948 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -61.39 -46.16 91.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.794 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 t -60.43 -44.22 95.99 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.79 -43.61 97.45 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.05 -44.91 94.53 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.28 -49.74 76.08 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.55 -45.9 92.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.15 -44.51 79.3 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.86 -41.46 97.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.69 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.43 -49.23 76.89 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -60.04 -40.79 90.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.634 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.57 97.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.729 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.7 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.651 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.49 -45.21 95.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.44 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.32 -41.46 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.4 -41.64 97.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.8 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.59 94.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.712 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.29 -29.52 69.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.141 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -80.7 -4.59 54.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.436 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.01 13.41 79.39 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.27 81.74 3.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.703 0.287 . . . . 0.0 110.282 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -64.95 -34.71 79.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.661 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.49 82.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.043 0.449 . . . . 0.0 110.73 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.57 81.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.348 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.87 -47.47 80.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.564 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -61.47 -43.7 98.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.623 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.6 99.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.53 -41.09 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.582 ' O ' ' NH2' ' A' ' 88' ' ' ARG . 90.9 mtp -62.08 -42.23 98.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.633 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.25 -44.39 97.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.955 0.407 . . . . 0.0 110.544 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.72 -42.48 95.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -60.3 -47.7 84.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.55 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -59.83 -42.89 94.56 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.332 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.5 mtp -61.48 -42.12 98.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.207 0.527 . . . . 0.0 110.532 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.22 97.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.214 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.15 -39.93 93.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.69 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.08 -41.41 96.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.26 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -64.63 -39.98 94.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.034 0.445 . . . . 0.0 110.217 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.03 74.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.84 -39.02 87.5 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.54 -43.94 96.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.292 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.61 -43.48 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.073 0.463 . . . . 0.0 110.02 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -59.84 -43.41 94.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.227 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 m -56.45 -42.88 78.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.003 0.43 . . . . 0.0 110.022 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.57 -40.5 94.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.511 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.37 -39.75 81.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.733 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.07 -40.02 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.486 -179.033 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 121.014 0.435 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.426 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 86.0 p -131.13 165.25 23.71 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -48.36 78.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.638 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.08 -47.13 94.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.542 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.426 ' H ' ' HG ' ' A' ' 71' ' ' SER . 87.9 mt -62.58 -40.38 96.7 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.15 -47.53 89.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.189 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -59.35 -45.27 91.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.324 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.91 93.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.07 -39.36 94.49 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.125 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.1 tp -56.49 -48.34 77.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.427 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -67.62 -46.95 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.727 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.42 -47.45 84.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.885 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.23 -44.71 95.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.175 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.9 p -62.63 -45.37 93.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.118 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.8 p -62.34 -47.24 85.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.511 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.529 ' SD ' ' C ' ' A' ' 85' ' ' MET . 16.3 tmm? -59.05 -47.77 84.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.556 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.21 -45.36 94.9 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.102 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.05 91.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.89 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.582 ' NH2' ' O ' ' A' ' 41' ' ' MET . 15.2 tpt85 -61.67 -45.26 94.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.136 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.85 -47.56 85.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.09 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.81 -40.44 95.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.225 0.536 . . . . 0.0 109.869 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.6 mt -60.7 -41.98 90.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.5 m -57.47 -46.05 84.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.005 0.431 . . . . 0.0 109.849 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.427 ' CD ' ' CD2' ' B' ' 26' ' ' LEU . 99.1 mt-10 -62.51 -42.8 99.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.636 179.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.543 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.7 mt -60.06 -43.63 95.27 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.28 -43.16 96.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.508 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -60.11 -39.51 86.48 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.411 ' CD2' ' NE2' ' B' ' 98' ' ' HIS . 39.4 mt -62.19 -42.15 99.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.856 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 70.6 m80 -59.93 -40.88 90.44 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -64.36 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.189 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.25 -39.99 94.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.211 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.354 179.653 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.575 0.226 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.0 -46.89 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.39 . . . . 0.0 110.333 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -67.67 -36.23 80.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.183 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 96.3 t -64.2 -42.35 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 68.3 t -60.24 -44.06 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.884 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -59.18 -41.42 88.45 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.55 -42.21 97.54 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -62.59 -42.78 99.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.752 0.31 . . . . 0.0 110.361 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.402 HD11 HG23 ' B' ' 12' ' ' ILE . 94.3 mt -63.48 -44.09 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.666 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.07 -44.41 99.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.972 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -61.25 -46.13 91.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.873 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.5 t -60.49 -44.31 96.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.129 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.71 -43.09 98.33 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.2 -45.45 91.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.53 76.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.906 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.67 -45.75 92.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.24 -44.33 79.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.06 -41.59 98.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.667 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.53 -48.93 77.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -60.33 -40.78 91.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.647 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -43.73 96.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.718 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.84 84.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.605 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.427 ' CD2' ' CD ' ' A' ' 93' ' ' GLU . 58.2 tp -61.51 -45.14 95.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.287 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.37 -41.56 72.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.17 -41.54 96.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.864 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.39 96.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.684 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.27 -29.54 69.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.091 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.83 -4.43 54.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.376 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.88 13.37 79.7 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.31 81.49 3.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.75 0.309 . . . . 0.0 110.287 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -64.8 -34.83 79.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.526 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.66 81.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.33 80.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.466 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.11 78.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.509 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.89 -43.95 97.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.593 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.69 99.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.684 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.72 -40.73 92.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.592 ' O ' ' NH2' ' B' ' 88' ' ' ARG . 90.8 mtp -62.19 -42.42 99.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.99 -44.68 97.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.504 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.41 -42.51 96.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.1 m -60.48 -47.77 84.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.544 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -59.5 -43.04 93.45 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.26 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.6 mtp -61.35 -42.27 98.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.282 0.563 . . . . 0.0 110.619 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.93 97.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.7 mt -65.55 -39.66 91.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.695 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.3 -40.94 96.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.326 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -65.15 -39.5 93.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.177 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.9 73.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.405 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -60.89 -39.24 88.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.266 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.27 -44.21 95.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.324 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.56 -43.12 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.078 0.466 . . . . 0.0 110.003 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -60.3 -43.28 96.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.26 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -56.48 -42.96 79.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.923 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.4 -40.68 95.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.887 0.375 . . . . 0.0 110.523 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.29 -39.74 82.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.13 -40.07 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.757 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.556 -178.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.879 0.371 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.418 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 97.1 p -131.04 166.86 20.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.521 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -48.73 80.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.571 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 52.5 t -62.09 -46.72 95.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.654 -178.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' B' ' 71' ' ' SER . 87.7 mt -62.52 -40.31 96.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.046 0.45 . . . . 0.0 110.949 -178.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.27 -47.58 89.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.254 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' B' ' 80' ' ' HIS . 15.6 tm-20 -59.5 -44.98 92.97 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.325 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.92 94.05 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.862 0.363 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.35 -39.03 93.43 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.166 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.72 -48.06 78.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.413 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.601 ' CE1' ' OE2' ' B' ' 76' ' ' GLU . 63.4 m80 -67.96 -46.63 70.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.753 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.56 -47.27 84.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.49 -44.78 95.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.205 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 21.0 p -62.57 -45.31 93.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.197 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 79.0 p -62.27 -47.31 84.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.601 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.53 ' C ' ' SD ' ' B' ' 85' ' ' MET . 16.3 tmm? -59.13 -47.87 83.7 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.532 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.95 -45.42 94.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.147 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.72 88.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.938 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.592 ' NH2' ' O ' ' B' ' 41' ' ' MET . 15.1 tpt85 -61.07 -44.95 96.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.233 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.24 -47.63 85.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.189 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.69 -40.38 95.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.176 0.513 . . . . 0.0 110.051 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 33.7 mt -60.49 -42.04 89.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.192 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 72.4 m -57.67 -45.65 85.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.088 0.47 . . . . 0.0 109.868 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . 0.435 ' CD ' ' CD2' ' C' ' 26' ' ' LEU . 98.7 mt-10 -62.95 -42.36 99.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.491 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.54 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.6 mt -60.6 -43.34 97.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.451 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.44 -43.09 96.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.461 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.22 -39.24 85.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.737 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.411 ' CD2' ' NE2' ' C' ' 98' ' ' HIS . 37.6 mt -62.77 -41.75 99.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.772 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.0 m80 -60.28 -40.88 91.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -64.38 -38.4 90.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.133 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -62.29 -39.92 94.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.166 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 179.449 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.6 mt . . . . . 0 N--CA 1.457 -0.119 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.0 -47.12 78.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.377 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.22 -36.18 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.282 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.53 -41.56 92.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 67.4 t -60.87 -44.16 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.996 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mtp -59.13 -41.26 87.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.19 -42.63 97.89 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.63 -42.61 99.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.353 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.404 HG23 HD11 ' C' ' 12' ' ' ILE . 95.6 mt -63.47 -44.0 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.731 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.35 -44.0 98.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.124 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . 0.402 HD21 ' HA ' ' C' ' 14' ' ' ASN . 7.2 m120 -61.67 -45.93 91.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.824 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.66 -44.23 96.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.158 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.62 -43.58 97.74 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.1 -44.7 94.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.11 74.77 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.45 -45.53 93.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.39 -44.46 80.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.89 -41.37 97.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.722 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.55 -48.96 77.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -60.23 -40.81 91.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.528 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.2 99.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.705 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.82 86.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.621 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . 0.435 ' CD2' ' CD ' ' B' ' 93' ' ' GLU . 58.0 tp -61.72 -44.63 96.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.443 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -55.89 -41.24 74.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.546 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.6 -40.88 96.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.919 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.13 96.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.825 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.98 -29.11 70.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.062 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.87 -4.44 54.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.481 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.87 13.41 79.62 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -95.35 81.5 3.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.755 0.312 . . . . 0.0 110.238 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -64.88 -35.04 79.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.459 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.98 81.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.65 81.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.38 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.15 78.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.45 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -60.88 -43.79 97.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.559 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.09 99.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.37 -40.58 93.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.513 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.588 ' O ' ' NH2' ' C' ' 88' ' ' ARG . 91.2 mtp -62.46 -42.35 99.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.591 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.21 -44.44 97.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.448 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.75 -42.33 95.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.343 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -60.65 -47.51 85.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -59.71 -43.16 94.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.383 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.13 -41.92 97.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.313 0.577 . . . . 0.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.31 96.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.319 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.23 -40.1 93.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.742 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.79 -41.34 95.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.356 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.8 -40.25 94.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.074 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.1 -45.98 75.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.423 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.544 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.7 t-80 -60.95 -38.96 87.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.357 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 mt -60.78 -43.51 97.99 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.338 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.86 -43.24 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.415 . . . . 0.0 109.922 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -60.29 -43.25 96.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.157 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.5 m -56.54 -42.92 79.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.953 0.406 . . . . 0.0 110.183 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.55 -40.27 94.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.546 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.38 -39.65 81.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.79 -179.718 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 C--O 1.227 -0.115 0 CA-C-O 121.058 0.456 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . 0.412 ' CD1' ' C ' ' C' ' 72' ' ' LEU . 0.3 OUTLIER -58.79 -49.1 78.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.671 -177.503 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 50.3 t -62.81 -47.12 94.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 130.084 3.354 . . . . 0.0 110.571 -177.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.47 -39.98 94.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.058 0.456 . . . . 0.0 110.989 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.68 -48.18 88.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.215 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.579 ' OE2' ' CE1' ' C' ' 80' ' ' HIS . 15.4 tm-20 -59.32 -45.23 91.91 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.303 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.84 -44.38 93.35 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.925 0.393 . . . . 0.0 110.506 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -62.94 -39.21 93.93 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.259 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 34.0 tp -56.52 -48.15 77.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.467 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.579 ' CE1' ' OE2' ' C' ' 76' ' ' GLU . 62.5 m80 -67.97 -46.59 70.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.7 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.59 -47.38 84.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.871 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.36 -44.65 95.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.344 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.8 p -62.54 -45.84 91.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.18 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -61.8 -47.52 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.571 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 85' ' ' MET . . . . . 0.528 ' SD ' ' C ' ' C' ' 85' ' ' MET . 16.4 tmm? -58.76 -48.11 82.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.468 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.01 -45.27 95.51 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.094 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.47 89.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.001 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . 0.588 ' NH2' ' O ' ' C' ' 41' ' ' MET . 15.3 tpt85 -61.5 -45.08 95.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.215 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.8 -47.82 84.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 110.149 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.73 -40.76 95.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.195 0.521 . . . . 0.0 110.037 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 33.3 mt -60.16 -41.9 88.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.418 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 69.7 m -57.72 -45.56 85.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.09 0.472 . . . . 0.0 109.938 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.12 -42.17 99.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.484 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.8 mt -60.63 -43.36 97.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.52 -43.11 96.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.553 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -60.0 -39.57 86.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.738 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 38.5 mt -62.23 -42.02 98.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.902 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.549 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 70.8 m80 -60.13 -40.9 91.39 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -64.39 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.156 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.15 -40.24 95.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.212 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.296 179.562 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.516 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 121.873 0.844 . . . . 0.0 108.923 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.3 t80 -139.84 142.94 36.57 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.31 38.62 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.916 -1.115 . . . . 0.0 109.506 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.11 149.16 28.49 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.33 18.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.035 -1.041 . . . . 0.0 108.365 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.93 144.39 19.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.4 m -96.64 136.55 37.01 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.092 0.949 . . . . 0.0 110.163 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -84.95 114.33 24.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.92 -4.23 19.36 Favored 'General case' 0 C--N 1.265 -3.073 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.903 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.83 85.76 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 119.754 -1.841 . . . . 0.0 110.595 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -45.47 -47.71 12.77 Favored 'Trans proline' 0 C--N 1.312 -1.395 0 C-N-CA 124.746 3.631 . . . . 0.0 114.099 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -102.12 27.57 6.54 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 116.128 -2.229 . . . . 0.0 108.763 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.91 -141.21 47.72 Favored Glycine 0 N--CA 1.497 2.737 0 C-N-CA 117.645 -2.217 . . . . 0.0 109.565 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.6 81.77 3.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.92 -1.341 . . . . 0.0 109.489 -176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -80.33 176.21 9.97 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 117.872 -1.531 . . . . 0.0 112.154 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 74.8 p -34.58 -65.88 0.19 Allowed 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.525 ' NH1' ' C ' ' A' ' 16' ' ' GLY . 4.5 tpt180 -55.73 -56.73 26.71 Favored Pre-proline 0 N--CA 1.493 1.694 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.566 -177.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.1 -32.13 64.29 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.156 1.237 . . . . 0.0 111.578 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.03 -38.84 86.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.234 -0.916 . . . . 0.0 109.464 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.79 72.57 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -63.94 -39.37 94.0 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 117.975 -1.49 . . . . 0.0 109.453 177.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.546 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.76 -45.28 93.41 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 122.586 1.184 . . . . 0.0 108.647 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 56.4 t -62.61 -42.22 95.12 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.725 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -63.92 -40.27 96.09 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.74 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.84 -39.62 79.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.423 -0.798 . . . . 0.0 109.569 178.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.92 91.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.603 -1.31 . . . . 0.0 109.446 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.38 -16.29 44.91 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.85 -10.56 86.04 Favored Glycine 0 N--CA 1.48 1.581 0 O-C-N 119.93 -1.731 . . . . 0.0 109.308 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.401 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.48 143.38 32.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.32 -1.694 . . . . 0.0 110.039 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.6 -30.13 59.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.178 -0.951 . . . . 0.0 112.339 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.71 158.54 10.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 119.808 -1.807 . . . . 0.0 112.78 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.58 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.2 35.37 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 102.858 -3.016 . . . . 0.0 102.858 171.219 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.62 136.59 60.36 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.393 0 CA-C-O 122.254 1.026 . . . . 0.0 109.309 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.408 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.4 m -124.91 143.16 51.01 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 123.056 1.407 . . . . 0.0 110.009 178.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.408 ' N ' HG23 ' D' ' 334' ' ' THR . 86.8 t -108.02 129.9 61.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 173.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.9 m -127.41 119.55 26.43 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.9 -1.125 . . . . 0.0 108.988 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.54 39.13 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.548 -0.72 . . . . 0.0 109.912 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.83 38.97 24.7 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.895 -1.128 . . . . 0.0 112.745 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.01 83.62 Favored Glycine 0 N--CA 1.501 2.994 0 O-C-N 119.878 -1.764 . . . . 0.0 112.532 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.87 136.31 54.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.9 m -124.86 158.61 33.02 Favored 'General case' 0 C--N 1.276 -2.609 0 CA-C-O 123.761 1.743 . . . . 0.0 112.425 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.35 31.31 Favored 'General case' 0 C--N 1.279 -2.489 0 CA-C-N 112.462 -2.154 . . . . 0.0 108.597 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.668 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.58 135.98 48.89 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 173.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.96 -6.73 47.26 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.656 -1.278 . . . . 0.0 110.736 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.668 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.54 13.01 31.47 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.657 -1.277 . . . . 0.0 109.386 -177.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.3 p -133.03 104.11 6.37 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.108 0.956 . . . . 0.0 110.188 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.7 tp -57.21 -37.91 72.92 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.971 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . 0.404 ' CZ ' ' OE2' ' A' ' 5' ' ' GLU . 21.2 m-85 -58.91 -51.36 70.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.652 -1.28 . . . . 0.0 113.094 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.04 -32.44 70.57 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 119.572 -1.955 . . . . 0.0 109.256 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.8 -33.75 75.85 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 118.981 -1.088 . . . . 0.0 109.945 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.415 HE21 HG22 ' C' ' 59' ' ' ILE . 67.7 tp60 -67.63 -10.36 51.48 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.659 -0.651 . . . . 0.0 110.015 -177.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.6 p -89.83 -7.8 53.48 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 118.183 -1.407 . . . . 0.0 110.875 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.33 159.28 15.33 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.181 -0.949 . . . . 0.0 110.2 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 106.894 -2.482 . . . . 0.0 106.894 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.9 mt -119.55 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.215 0 O-C-N 120.632 -1.511 . . . . 0.0 107.352 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 73.3 p -81.5 172.58 13.32 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.219 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -60.68 140.88 57.33 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.845 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.5 -3.26 78.75 Favored Glycine 0 N--CA 1.5 2.906 0 C-N-CA 120.057 -1.068 . . . . 0.0 111.322 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.42 135.93 34.06 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.892 -1.358 . . . . 0.0 110.634 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.7 t -96.52 123.64 48.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.08 160.11 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.305 0 C-N-CA 117.416 -1.714 . . . . 0.0 110.707 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.9 128.36 54.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.502 -1.374 . . . . 0.0 107.547 175.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.2 mt -107.9 121.36 60.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.22 50.69 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.71 153.33 47.21 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 118.582 -1.247 . . . . 0.0 109.801 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.07 110.8 6.46 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 118.556 -1.257 . . . . 0.0 108.057 178.174 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.33 40.17 Favored Glycine 0 C--N 1.295 -1.726 0 C-N-CA 118.025 -2.035 . . . . 0.0 110.358 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.4 -40.6 82.85 Favored 'General case' 0 C--N 1.276 -2.612 0 CA-C-N 114.384 -0.908 . . . . 0.0 112.18 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.09 36.83 3.53 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 115.87 -2.332 . . . . 0.0 108.531 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.3 -33.6 65.71 Favored 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -174.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.468 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.59 27.24 Favored 'General case' 0 N--CA 1.509 2.511 0 O-C-N 119.585 -1.947 . . . . 0.0 110.981 -176.557 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.77 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.74 97.9 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.54 77.5 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.437 -1.705 . . . . 0.0 110.069 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.77 -42.24 89.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 CA-C-O 122.197 0.999 . . . . 0.0 109.291 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.86 -47.93 76.43 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 122.037 0.922 . . . . 0.0 108.734 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.77 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.76 -38.36 76.75 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.732 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.9 mt -75.51 -28.67 59.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.449 -1.407 . . . . 0.0 110.908 -174.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.48 71.27 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.413 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.27 63.01 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.2 tp -57.21 -45.27 83.96 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.066 -1.054 . . . . 0.0 110.523 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.39 -37.31 85.26 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.893 -1.129 . . . . 0.0 111.518 -177.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.83 61.6 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.039 -1.038 . . . . 0.0 110.223 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.32 45.86 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.554 -0.716 . . . . 0.0 111.35 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.02 125.51 12.27 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 124.315 2.007 . . . . 0.0 112.925 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.903 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 13.9 pt-20 . . . . . 0 C--N 1.277 -2.57 0 CA-C-N 111.128 -2.76 . . . . 0.0 110.128 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.404 ' OE2' ' CZ ' ' D' ' 348' ' ' PHE . 84.2 tt0 -63.49 -50.08 71.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.922 0.391 . . . . 0.0 110.28 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -66.5 -36.78 83.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.334 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.45 -42.71 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.376 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.34 -45.03 97.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.972 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -59.54 -41.66 90.58 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.36 -42.08 99.25 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.73 -43.26 97.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.26 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.16 -44.29 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.8 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.92 -44.23 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.985 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -61.65 -45.47 93.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.811 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.4 p -60.03 -44.12 94.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.98 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.525 ' C ' ' NH1' ' D' ' 317' ' ' ARG . . . -63.91 -42.23 98.43 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.4 -43.38 97.71 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.1 78.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.839 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.53 -45.77 92.61 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.7 m -55.0 -43.76 73.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.41 -41.03 98.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.65 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.16 -47.79 82.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.27 -41.88 89.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.63 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.13 91.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.698 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.71 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.683 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.78 -45.68 92.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.391 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -54.27 -43.59 71.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.84 -41.48 87.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.846 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.61 -43.79 93.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.779 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.85 -30.93 70.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.094 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -82.54 -5.0 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.465 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.64 15.26 78.33 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -96.56 81.47 3.22 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.763 0.316 . . . . 0.0 110.275 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -65.07 -33.6 76.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.653 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.39 79.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 110.741 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.25 80.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.319 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.84 82.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.584 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.53 -42.61 99.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.6 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.92 99.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.796 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.7 mtt -66.08 -41.8 90.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.463 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.475 ' O ' ' OG ' ' A' ' 44' ' ' SER . 72.3 mtm -63.77 -41.85 97.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.645 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.53 -45.18 94.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 110.578 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.84 -41.18 97.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.166 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 41' ' ' MET . 77.5 p -61.15 -46.0 92.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -59.89 -42.67 94.34 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.3 ttp -60.17 -43.55 95.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.185 0.516 . . . . 0.0 110.639 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.21 -41.77 99.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.174 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.24 -40.27 93.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.684 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.2 -41.34 96.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.269 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.86 -39.76 94.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.217 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.33 79.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.41 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -62.43 -38.52 90.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.419 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.59 -43.07 99.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.305 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.48 -43.5 94.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.449 . . . . 0.0 110.05 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.526 ' OE1' ' CD1' ' A' ' 59' ' ' ILE . 1.1 tm0? -61.06 -42.36 98.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.297 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 m -56.21 -44.36 79.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.021 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -61.39 -37.36 83.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.497 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.75 -28.32 69.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.689 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.526 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 96.0 mt -89.93 -33.03 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.597 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.945 0.402 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 p -128.31 161.76 28.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.52 -43.77 80.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.676 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.06 -44.12 99.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.903 0.382 . . . . 0.0 110.579 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.98 -41.66 98.28 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.975 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.7 -46.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.191 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -58.2 -46.62 85.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.791 0.329 . . . . 0.0 110.248 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.07 98.27 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.638 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.497 ' OE1' ' OE2' ' B' ' 76' ' ' GLU . 85.0 mt-30 -63.22 -40.04 96.34 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.196 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.4 tp -57.69 -46.57 84.14 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.444 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -67.82 -47.75 68.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.727 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.57 -46.0 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.805 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -63.0 -44.09 96.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.155 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.6 p -63.6 -48.22 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.049 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.9 t -61.73 -48.55 80.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.443 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.2 ttp -57.93 -48.24 80.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.512 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.95 -45.25 94.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.876 0.369 . . . . 0.0 110.087 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.37 -47.54 85.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.811 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -58.85 -45.02 91.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.112 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.73 -44.26 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.109 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.0 mt -64.75 -43.99 91.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.168 0.508 . . . . 0.0 109.895 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.09 -42.01 91.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.306 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.9 m -57.56 -45.77 84.73 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.639 -0.425 . . . . 0.0 109.869 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.81 -41.85 99.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.545 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.436 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 16.6 mt -60.32 -42.02 94.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.417 HG23 HD13 ' A' ' 95' ' ' ILE . 88.2 mt -61.21 -42.84 94.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.516 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.583 ' OE2' ' NZ ' ' B' ' 30' ' ' LYS . 84.5 tt0 -60.65 -38.83 86.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.735 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.0 mt -61.9 -41.09 97.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.888 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.6 m80 -59.67 -40.32 87.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.68 -41.44 81.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.201 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -62.71 -33.6 75.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.275 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.406 179.615 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 120.592 0.234 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.57 -50.0 71.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.982 0.42 . . . . 0.0 110.402 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -66.33 -36.87 84.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.226 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.55 -42.22 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.362 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.88 -45.03 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.914 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.7 mtp -59.34 -41.8 90.02 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.49 -42.16 99.05 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.58 -43.05 98.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.798 0.333 . . . . 0.0 110.344 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.44 -44.51 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.722 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.402 HG21 HD13 ' B' ' 13' ' ' ILE . 87.6 mt -63.54 -44.54 98.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.912 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -61.41 -45.55 93.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.881 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -59.93 -43.9 94.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.135 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.22 -41.99 98.1 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.5 -43.34 97.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.34 -49.17 78.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.922 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.59 -45.51 93.69 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.6 m -55.15 -43.89 74.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.97 -41.73 98.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.793 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.76 81.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -59.3 -41.56 89.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.68 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.84 91.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.639 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.8 91.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.696 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.72 -45.83 92.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.328 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.2 -43.61 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.75 -41.34 86.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.903 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.88 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.698 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.583 ' NZ ' ' OE2' ' A' ' 96' ' ' GLU . 67.9 mttm -60.7 -31.0 70.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.05 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -82.44 -5.2 58.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.419 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.48 15.56 77.88 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -96.37 80.74 3.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.774 0.321 . . . . 0.0 110.34 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -64.55 -33.63 76.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.587 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.46 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.012 0.434 . . . . 0.0 110.737 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.03 79.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.442 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.83 82.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.577 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.52 -42.51 98.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.574 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.41 98.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.683 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.68 -41.54 92.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.516 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.46 ' O ' ' OG ' ' B' ' 44' ' ' SER . 72.6 mtm -63.95 -42.16 97.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.558 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.16 -45.36 93.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.458 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.79 -40.88 97.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.333 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.3 p -61.44 -46.09 91.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.49 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.404 ' HE ' ' NH2' ' B' ' 88' ' ' ARG . 42.2 ttm180 -59.83 -42.74 94.21 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 64.8 ttp -60.03 -44.03 94.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.277 0.561 . . . . 0.0 110.675 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.98 99.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.182 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.97 -40.25 94.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.757 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.3 -41.45 96.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.38 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.77 -39.57 93.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.194 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.31 79.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.415 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -62.54 -38.58 90.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.293 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.41 -43.32 99.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.317 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -65.0 -44.03 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.141 0.496 . . . . 0.0 110.038 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.535 ' OE1' ' CD1' ' B' ' 59' ' ' ILE . 1.1 tm0? -60.75 -42.34 97.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.204 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -56.45 -44.11 80.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.947 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.4 -37.35 83.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.915 0.388 . . . . 0.0 110.527 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.84 -28.27 69.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.692 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.535 ' CD1' ' OE1' ' B' ' 55' ' ' GLN . 96.2 mt -89.97 -32.92 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.73 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.94 0.4 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 13.3 p -127.94 164.33 22.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.5 -178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.72 -43.05 94.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.561 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.01 -43.39 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.561 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.21 -41.16 98.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.037 0.446 . . . . 0.0 110.945 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -60.06 -46.77 93.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.298 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.497 ' OE2' ' OE1' ' A' ' 78' ' ' GLN . 44.8 tp10 -58.29 -46.17 86.6 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.299 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.19 97.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.895 0.378 . . . . 0.0 110.433 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.515 ' OE1' ' OE2' ' C' ' 76' ' ' GLU . 84.5 mt-30 -63.11 -39.6 95.16 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.187 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 43.6 tp -58.13 -46.73 85.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.381 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -67.65 -47.92 68.19 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.796 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.23 -46.44 90.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.39 -44.34 96.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.256 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 21.6 p -63.62 -47.79 79.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.127 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -61.76 -48.56 80.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -58.17 -48.54 79.96 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.458 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.63 -45.34 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.096 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.07 -47.93 83.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.905 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.404 ' NH2' ' HE ' ' B' ' 45' ' ' ARG . 3.2 tmt_? -58.36 -45.32 88.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.245 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.69 -44.13 97.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.117 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.85 -43.77 91.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.062 0.458 . . . . 0.0 109.994 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.1 -42.29 92.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.197 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -57.3 -45.6 83.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.018 0.437 . . . . 0.0 109.835 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.16 -41.73 99.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.495 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.472 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 16.4 mt -60.33 -42.08 94.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.08 -42.91 95.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.52 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . 0.543 ' OE2' ' NZ ' ' C' ' 30' ' ' LYS . 84.5 tt0 -60.62 -38.87 86.19 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.96 -41.08 97.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.861 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.4 m80 -59.65 -39.8 85.58 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.15 -41.66 84.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.097 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -62.87 -33.4 75.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.224 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.409 179.523 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.6 0.238 . . . . 0.0 110.439 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.48 -49.63 72.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.407 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -66.88 -36.44 82.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.348 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.65 -42.26 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.364 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 75.1 t -60.87 -45.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.986 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.13 -41.89 89.33 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.18 99.21 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.41 -43.08 98.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.41 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.402 HD12 HG23 ' C' ' 12' ' ' ILE . 93.5 mt -63.47 -44.53 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.674 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.5 -44.38 98.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.083 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' C' ' 14' ' ' ASN . 47.6 t-20 -61.37 -45.8 92.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.826 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 79.6 p -59.79 -43.92 94.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.156 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.09 -42.08 98.23 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.63 -43.45 96.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -49.07 78.31 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.9 -45.48 94.44 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 65.5 m -55.09 -44.18 74.62 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.58 -41.62 97.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.741 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.62 82.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.37 -41.72 89.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.428 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.29 90.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.47 93.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.59 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.89 -45.79 92.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.389 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -54.26 -43.65 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -58.79 -41.07 85.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.882 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.0 94.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.808 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OE2' ' B' ' 96' ' ' GLU . 68.0 mttm -60.7 -30.84 70.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.998 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -82.32 -5.2 58.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.487 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.62 15.48 77.86 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -96.53 80.78 3.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.781 0.324 . . . . 0.0 110.316 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -64.48 -33.79 76.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.537 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.34 -48.18 80.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.67 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.16 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.403 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -47.83 82.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.512 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.45 -42.76 99.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.629 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.0 99.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.94 -41.93 90.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.559 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.477 ' O ' ' OG ' ' C' ' 44' ' ' SER . 73.1 mtm -63.73 -41.94 97.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.603 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.25 -45.68 92.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.48 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.56 -40.79 97.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.332 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' SER . . . . . 0.477 ' OG ' ' O ' ' C' ' 41' ' ' MET . 77.4 p -61.53 -45.85 92.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.494 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -59.99 -42.64 94.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.354 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.4 ttp -60.31 -43.9 95.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.316 0.579 . . . . 0.0 110.528 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.15 99.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.356 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.63 -40.86 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.705 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -60.8 -41.54 95.84 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.364 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.6 -39.84 94.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.989 0.423 . . . . 0.0 110.065 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.65 79.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.434 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.0 -38.96 90.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.4 -42.86 99.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.291 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.7 t -65.48 -43.8 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.963 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.526 ' OE1' ' CD1' ' C' ' 59' ' ' ILE . 1.1 tm0? -60.9 -42.58 98.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.313 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -55.93 -44.28 78.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.195 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.24 -37.39 82.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.485 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.76 -28.16 69.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.526 ' CD1' ' OE1' ' C' ' 55' ' ' GLN . 96.3 mt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.227 -0.126 0 CA-C-O 121.089 0.471 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.41 -44.4 92.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.698 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.03 -44.21 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 130.087 3.355 . . . . 0.0 110.576 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.414 HD21 HE22 ' C' ' 55' ' ' GLN . 92.7 mt -63.9 -40.89 97.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.044 0.449 . . . . 0.0 110.992 177.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -60.4 -47.25 93.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.21 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . 0.515 ' OE2' ' OE1' ' B' ' 78' ' ' GLN . 45.2 tp10 -58.55 -46.03 87.71 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.23 97.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.427 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -63.11 -40.26 97.1 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.302 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 43.2 tp -57.24 -47.13 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.457 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -67.35 -48.15 68.36 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.737 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.16 -46.12 91.85 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.858 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.7 -44.13 97.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.306 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 22.5 p -63.81 -47.85 79.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.21 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -61.91 -48.23 81.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.589 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -58.42 -48.25 81.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.501 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -61.88 -45.17 94.91 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.146 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.66 84.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.894 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -58.48 -45.55 88.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.232 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.32 -44.37 96.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.133 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.59 -43.99 92.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.135 0.493 . . . . 0.0 110.03 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.2 -42.01 91.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.358 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 91.2 m -57.46 -45.75 84.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.123 0.487 . . . . 0.0 109.947 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.06 -41.81 99.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.469 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.481 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 16.6 mt -59.89 -42.43 93.79 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.419 HD13 HG23 ' C' ' 95' ' ' ILE . 88.8 mt -60.83 -42.94 94.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.609 178.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.37 -38.97 85.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.755 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.94 -41.18 97.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.91 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.481 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 72.0 m80 -59.5 -39.77 84.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.743 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.32 -41.3 84.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.114 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -62.97 -33.57 75.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.195 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.354 179.623 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.513 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 121.849 0.833 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 142.99 36.72 Favored 'General case' 0 C--N 1.287 -2.145 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.99 156.31 38.59 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.994 -1.066 . . . . 0.0 109.561 179.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.16 28.49 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.33 18.94 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.047 -1.033 . . . . 0.0 108.361 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.33 19.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.77 136.69 36.95 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.194 0.997 . . . . 0.0 110.083 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -85.04 114.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.86 -4.34 19.34 Favored 'General case' 0 C--N 1.265 -3.088 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.902 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.78 85.76 Favored Pre-proline 0 N--CA 1.5 2.033 0 O-C-N 119.657 -1.902 . . . . 0.0 110.618 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -45.45 -47.76 12.65 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 124.777 3.651 . . . . 0.0 114.116 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.593 HD22 ' CD2' ' D' ' 315' ' ' HIS . 42.3 p30 -102.11 27.66 6.45 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 116.026 -2.269 . . . . 0.0 108.758 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.43 -142.24 46.99 Favored Glycine 0 N--CA 1.498 2.777 0 C-N-CA 117.646 -2.216 . . . . 0.0 109.584 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.2 tp -93.35 81.18 4.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.333 . . . . 0.0 109.555 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.593 ' CD2' HD22 ' D' ' 312' ' ' ASN . 2.9 p80 -79.21 177.16 9.03 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 117.885 -1.526 . . . . 0.0 112.161 -178.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 17.9 p -35.72 -65.73 0.23 Allowed 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -176.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.427 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 13.9 ttt-85 -56.26 -56.35 32.37 Favored Pre-proline 0 N--CA 1.493 1.705 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.51 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.06 -32.13 64.76 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.365 1.376 . . . . 0.0 111.541 -177.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.84 86.66 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.251 -0.906 . . . . 0.0 109.492 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.92 -39.71 72.54 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.97 -39.35 93.93 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.959 -1.496 . . . . 0.0 109.508 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.551 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.77 -45.34 93.14 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 122.564 1.173 . . . . 0.0 108.633 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.66 -42.16 94.98 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.264 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.677 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . 0.453 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 97.5 mttt -63.93 -40.26 96.04 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.317 -0.864 . . . . 0.0 109.781 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.458 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.63 79.94 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.46 -0.775 . . . . 0.0 109.617 177.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.93 91.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.594 -1.316 . . . . 0.0 109.47 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.41 -16.19 44.21 Favored 'General case' 0 N--CA 1.511 2.6 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.55 86.07 Favored Glycine 0 N--CA 1.48 1.583 0 O-C-N 119.88 -1.762 . . . . 0.0 109.348 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.51 143.31 32.9 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.287 -1.713 . . . . 0.0 110.002 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.8 p -75.58 -30.04 59.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.244 -0.91 . . . . 0.0 112.34 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.8 158.58 10.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 119.842 -1.786 . . . . 0.0 112.75 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.582 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.32 35.44 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 102.862 -3.014 . . . . 0.0 102.862 171.256 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.71 136.65 60.18 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.487 0 CA-C-O 122.185 0.993 . . . . 0.0 109.301 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.411 HG23 ' N ' ' D' ' 335' ' ' VAL . 94.1 m -125.06 143.27 51.0 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-O 123.123 1.44 . . . . 0.0 109.933 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.411 ' N ' HG23 ' D' ' 334' ' ' THR . 86.1 t -108.14 129.92 61.57 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.702 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 173.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.404 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.44 119.6 26.49 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.851 -1.156 . . . . 0.0 108.917 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.62 122.58 39.18 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.901 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.73 39.01 24.47 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.866 -1.146 . . . . 0.0 112.781 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.1 83.51 Favored Glycine 0 N--CA 1.501 3.029 0 O-C-N 119.912 -1.743 . . . . 0.0 112.549 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.94 136.26 54.59 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.78 158.59 32.96 Favored 'General case' 0 C--N 1.276 -2.588 0 CA-C-O 123.796 1.76 . . . . 0.0 112.399 -176.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.46 31.51 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 112.436 -2.166 . . . . 0.0 108.594 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.656 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.62 135.86 48.74 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 105.634 -1.988 . . . . 0.0 105.634 173.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.94 -6.78 47.54 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.701 -1.249 . . . . 0.0 110.753 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.656 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.46 12.98 31.44 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.665 -1.272 . . . . 0.0 109.367 -177.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 97.3 p -133.09 104.23 6.41 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 122.213 1.006 . . . . 0.0 110.127 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.27 -37.9 73.08 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.964 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -58.9 -51.29 70.65 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.565 -1.334 . . . . 0.0 113.086 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.08 -32.53 70.65 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 119.589 -1.945 . . . . 0.0 109.197 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.67 -33.8 75.79 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.954 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -67.69 -10.47 52.7 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.588 -0.695 . . . . 0.0 109.945 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.8 p -89.7 -7.78 53.82 Favored 'General case' 0 N--CA 1.503 2.194 0 C-N-CA 118.089 -1.445 . . . . 0.0 110.917 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.8 mt -93.31 159.36 15.3 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.177 -0.952 . . . . 0.0 110.135 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.82 2.96 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 106.992 -2.443 . . . . 0.0 106.992 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.0 mt -119.56 47.3 1.74 Allowed 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.719 -1.46 . . . . 0.0 107.366 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 4.0 p -81.41 172.52 13.44 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.77 -1.172 . . . . 0.0 109.184 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.63 140.92 57.24 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.897 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.28 78.99 Favored Glycine 0 N--CA 1.5 2.941 0 C-N-CA 119.978 -1.106 . . . . 0.0 111.378 177.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.6 m -84.37 135.85 34.12 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.87 -1.371 . . . . 0.0 110.66 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.48 123.72 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.08 160.1 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.326 0 C-N-CA 117.409 -1.716 . . . . 0.0 110.69 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.404 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 88.5 m -108.92 128.29 54.8 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.549 -1.344 . . . . 0.0 107.681 175.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.86 121.35 60.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.31 50.69 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.39 47.15 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 118.48 -1.288 . . . . 0.0 109.726 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.78 6.43 Favored 'General case' 0 C--N 1.287 -2.122 0 C-N-CA 118.535 -1.266 . . . . 0.0 108.059 178.201 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.16 -170.31 40.09 Favored Glycine 0 C--N 1.296 -1.687 0 C-N-CA 118.011 -2.042 . . . . 0.0 110.365 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.68 82.87 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.356 -0.922 . . . . 0.0 112.169 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.05 36.86 3.51 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 115.874 -2.33 . . . . 0.0 108.538 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.6 65.82 Favored 'General case' 0 N--CA 1.521 3.078 0 N-CA-C 116.863 2.171 . . . . 0.0 116.863 -174.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.502 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.57 27.32 Favored 'General case' 0 N--CA 1.509 2.498 0 O-C-N 119.503 -1.998 . . . . 0.0 110.987 -176.541 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.776 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.6 -40.7 97.59 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.5 77.65 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 117.463 -1.695 . . . . 0.0 110.066 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.5 t -66.88 -42.25 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-O 122.148 0.975 . . . . 0.0 109.198 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.89 76.55 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-O 122.089 0.947 . . . . 0.0 108.774 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.776 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.7 -38.44 76.96 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.69 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.551 HD22 ' CE1' ' D' ' 322' ' ' PHE . 81.0 mt -75.55 -28.61 59.1 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.397 -1.44 . . . . 0.0 110.911 -174.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.43 70.57 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.426 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.96 -49.23 62.98 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.458 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.2 -45.3 83.92 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.518 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.31 -37.43 85.52 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.832 -1.168 . . . . 0.0 111.554 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.81 -31.92 61.85 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.079 -1.013 . . . . 0.0 110.275 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.79 -32.33 46.39 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.534 -0.729 . . . . 0.0 111.367 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.15 125.53 12.51 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 124.321 2.01 . . . . 0.0 112.939 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.902 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.1 mt-10 . . . . . 0 C--N 1.277 -2.573 0 CA-C-N 111.133 -2.758 . . . . 0.0 110.148 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 6' ' ' GLU . 15.0 pt-20 -65.08 -43.8 90.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.886 0.374 . . . . 0.0 110.264 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.508 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 97.5 mt-10 -66.91 -34.86 78.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.239 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.24 -43.11 98.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.398 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.5 t -60.98 -43.99 97.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.974 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -58.86 -42.27 89.02 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.07 -41.36 97.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.35 -43.1 98.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.373 . . . . 0.0 110.162 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.07 -44.03 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.713 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.453 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 90.1 mt -63.58 -44.28 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.941 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.89 -46.36 89.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.803 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.2 m -60.12 -44.63 94.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.003 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.9 -42.66 99.63 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.15 -43.36 98.52 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.3 76.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.859 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.64 -46.15 91.4 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -54.78 -44.41 73.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.31 -42.88 99.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.688 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.57 -50.16 74.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.53 -41.6 90.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.631 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.78 92.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.764 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.69 90.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.661 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.28 -45.12 95.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.446 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.48 -42.17 74.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.84 -41.61 96.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.83 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.47 93.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.667 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.27 -29.58 69.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.164 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.65 -4.1 53.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.26 14.26 74.77 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -97.25 80.59 2.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.76 0.314 . . . . 0.0 110.28 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -64.94 -34.67 78.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.693 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.27 80.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.046 0.451 . . . . 0.0 110.765 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.32 80.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.38 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.55 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.94 -42.05 99.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.86 0.362 . . . . 0.0 110.6 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.69 99.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.9 mmm -66.25 -40.33 90.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.45 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.467 ' O ' ' OG ' ' A' ' 44' ' ' SER . 91.3 mtp -63.15 -41.21 99.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.597 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.52 -43.82 97.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.049 0.452 . . . . 0.0 110.597 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -64.03 -40.85 97.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.266 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.467 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.2 p -62.0 -46.43 89.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.27 -42.7 95.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.305 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.6 mtp -61.36 -42.22 98.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.229 0.538 . . . . 0.0 110.533 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.42 90.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.202 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.5 -40.12 92.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 49' ' ' ASN . 50.6 t-20 -60.99 -42.49 98.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.34 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.89 -40.3 94.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.193 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.14 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.431 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -60.22 -40.0 88.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.48 -44.28 96.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.371 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.5 t -66.48 -42.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 109.976 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.405 HE21 HD22 ' A' ' 74' ' ' LEU . 67.5 tp60 -60.82 -44.55 96.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 m -56.11 -43.01 77.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.054 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -61.13 -39.93 91.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.485 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.72 -39.09 80.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.713 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -67.95 -39.66 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.889 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 -179.503 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.462 0.149 0 CA-C-O 120.886 0.374 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.475 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 95.3 p -127.74 159.25 35.36 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.34 -43.04 88.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.644 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.7 t -63.41 -48.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.841 0.353 . . . . 0.0 110.531 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.475 ' H ' ' HG ' ' A' ' 71' ' ' SER . 96.2 mt -63.3 -40.73 98.15 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.032 0.444 . . . . 0.0 110.896 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.98 -46.95 93.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.169 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -58.44 -46.34 86.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.837 0.351 . . . . 0.0 110.345 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.95 95.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.606 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.17 -41.53 99.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.16 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.23 -46.65 82.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.384 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -66.92 -46.94 73.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.693 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.35 -46.12 91.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.841 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.43 -44.17 97.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.169 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.3 p -63.25 -45.9 89.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.114 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.522 ' HG ' ' N ' ' A' ' 85' ' ' MET . 78.1 p -63.1 -49.8 73.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.462 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.522 ' N ' ' HG ' ' A' ' 84' ' ' SER . 8.7 tpp -57.14 -48.52 78.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.503 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.1 -44.13 97.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.015 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.75 82.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.861 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -58.58 -45.4 89.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.188 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -60.83 -44.69 96.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.069 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.98 -42.14 97.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.19 0.519 . . . . 0.0 109.908 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -60.89 -42.33 92.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.7 m -57.32 -46.04 83.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.058 0.456 . . . . 0.0 109.882 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.79 -43.21 97.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 0.0 109.629 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 75.5 mt -59.85 -43.82 94.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 90.9 mt -61.21 -42.96 95.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.523 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.537 ' CD ' ' NZ ' ' B' ' 30' ' ' LYS . 81.5 tt0 -60.86 -39.77 90.41 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.5 mt -62.22 -41.66 98.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.893 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 69.6 m80 -59.79 -40.1 87.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -61.74 -39.57 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.25 -39.36 93.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.217 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.363 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.512 0.196 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' B' ' 6' ' ' GLU . 15.0 pt-20 -64.86 -44.08 90.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.967 0.413 . . . . 0.0 110.381 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.513 ' N ' ' CG ' ' B' ' 5' ' ' GLU . 97.3 mt-10 -66.45 -35.02 79.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.267 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.22 -43.35 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.352 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 82.1 t -60.76 -43.69 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.845 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.8 mtp -59.2 -42.18 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.23 -41.41 96.83 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.6 mt -63.03 -43.27 99.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.336 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.418 HD13 HG21 ' B' ' 12' ' ' ILE . 92.0 mt -63.14 -44.29 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.775 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.3 -44.13 98.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.976 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -61.85 -46.42 89.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.859 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 70.3 m -59.98 -44.68 94.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.117 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.45 99.68 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.36 -43.16 98.46 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.63 75.66 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.868 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.16 -46.42 89.74 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -54.79 -44.25 73.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.44 -42.66 98.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.747 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.76 -50.21 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.44 -41.52 89.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.695 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.17 93.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.748 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.4 -42.79 87.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.707 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.41 -45.26 95.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.32 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.25 -42.07 72.98 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.98 -41.39 96.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.843 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -42.74 94.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.692 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.537 ' NZ ' ' CD ' ' A' ' 96' ' ' GLU . 67.7 mttm -61.01 -29.62 69.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.037 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -80.86 -3.98 53.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.386 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.15 14.38 74.78 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.31 80.52 2.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.787 0.327 . . . . 0.0 110.422 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -64.97 -34.54 78.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.599 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.3 80.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.084 0.469 . . . . 0.0 110.777 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.36 -35.49 81.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.388 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -47.26 84.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.55 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.61 -42.29 99.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.85 0.357 . . . . 0.0 110.536 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.75 99.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 93.0 mmm -66.15 -40.47 90.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.493 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.474 ' O ' ' OG ' ' B' ' 44' ' ' SER . 91.6 mtp -62.95 -41.47 99.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.602 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.17 -44.23 97.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.48 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.323 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.0 p -61.79 -46.46 89.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.503 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.31 -42.63 95.95 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.262 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.41 -42.54 98.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.253 0.549 . . . . 0.0 110.654 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.45 92.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.107 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.57 -40.31 92.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.721 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 50.3 t-20 -60.76 -42.82 98.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.31 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.71 -40.12 94.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.221 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.82 75.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.466 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.74 -39.92 90.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.287 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.7 mt -60.42 -44.29 95.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.333 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.36 -42.92 91.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.034 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.405 HE21 HD22 ' B' ' 74' ' ' LEU . 67.5 tp60 -60.55 -44.34 96.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.9 m -56.41 -43.27 79.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.972 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.69 -40.39 92.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.915 0.388 . . . . 0.0 110.514 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.26 -39.33 82.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.652 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -67.85 -39.8 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.735 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.361 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.443 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 90.4 p -127.14 161.22 28.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 15.9 mt -60.44 -42.96 97.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.578 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.61 -47.89 90.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.636 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' B' ' 71' ' ' SER . 98.6 mt -63.85 -40.15 95.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.23 -47.15 93.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.326 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.54 -46.29 87.13 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.301 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.0 95.91 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.879 0.371 . . . . 0.0 110.488 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.15 -41.53 99.28 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.219 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 48.4 tp -57.27 -46.13 83.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.383 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -67.27 -47.06 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.67 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.51 -45.71 93.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.867 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.44 -44.1 97.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.252 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.9 p -63.62 -45.92 88.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.134 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.501 ' HG ' ' N ' ' B' ' 85' ' ' MET . 78.3 p -62.88 -49.83 73.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.529 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.501 ' N ' ' HG ' ' B' ' 84' ' ' SER . 8.2 tpp -57.2 -48.54 78.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.463 -179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.22 -44.09 97.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 0.0 110.132 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.51 83.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.916 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -59.0 -45.53 90.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.253 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.154 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.04 -42.25 97.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.155 0.502 . . . . 0.0 110.072 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 76.3 mt -60.88 -42.4 92.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.222 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 70.4 m -57.32 -46.34 83.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.075 0.464 . . . . 0.0 109.922 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.26 -43.3 98.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.532 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.575 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.9 mt -59.82 -43.69 94.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 90.1 mt -61.56 -42.92 95.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.545 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . 0.531 ' CD ' ' NZ ' ' C' ' 30' ' ' LYS . 82.0 tt0 -60.6 -40.02 90.25 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.12 -41.73 98.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.875 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 69.6 m80 -59.58 -40.2 86.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.806 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.57 -39.7 92.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.111 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.43 -39.43 93.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.109 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.369 179.811 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.609 0.242 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' C' ' 6' ' ' GLU . 14.9 pt-20 -64.95 -43.76 91.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 0.0 110.438 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . 0.513 ' N ' ' CG ' ' C' ' 5' ' ' GLU . 97.7 mt-10 -66.96 -34.72 78.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.27 -43.23 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.372 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 81.9 t -60.75 -44.09 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.967 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.6 mtp -58.89 -42.33 89.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.03 -41.54 97.17 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.91 -43.04 99.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.345 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.421 HD13 HG21 ' C' ' 12' ' ' ILE . 91.5 mt -63.42 -44.32 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.65 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.27 -44.18 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.018 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -61.82 -46.43 89.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.816 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 71.2 m -59.95 -44.86 94.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.14 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.78 -42.46 99.68 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.16 -43.34 98.55 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.26 -50.06 74.09 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -59.85 -46.64 88.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -54.62 -44.38 73.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.14 -42.58 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.734 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.02 -49.8 76.52 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.92 -41.4 91.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.53 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.6 93.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.43 90.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.523 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.55 -44.82 96.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.408 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.85 -42.04 75.21 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.01 -41.35 96.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.93 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.25 92.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.842 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . 0.531 ' NZ ' ' CD ' ' B' ' 96' ' ' GLU . 67.6 mttm -61.72 -29.55 70.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.032 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.47 -4.42 53.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.444 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 14.66 73.49 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.53 80.06 2.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.761 0.315 . . . . 0.0 110.309 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -64.56 -34.46 78.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.53 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.4 79.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.108 0.48 . . . . 0.0 110.725 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.57 81.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.382 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.38 -47.41 84.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.505 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.51 -42.61 99.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.575 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.6 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 92.8 mmm -66.33 -40.69 90.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.606 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.476 ' O ' ' OG ' ' C' ' 44' ' ' SER . 91.7 mtp -62.73 -41.64 99.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.678 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.18 -44.24 97.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.49 -41.23 98.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.349 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.2 p -61.8 -46.22 90.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.563 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.45 -42.66 96.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.38 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -61.36 -42.6 98.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.33 0.586 . . . . 0.0 110.497 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.66 92.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.34 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.3 -40.57 93.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.721 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 49.3 t-20 -60.97 -42.32 98.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.283 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.76 -40.53 95.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.043 0.449 . . . . 0.0 110.065 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.02 -45.95 75.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.434 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.4 ' NE2' ' CB ' ' D' ' 312' ' ' ASN . 85.0 t60 -60.58 -39.77 89.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.284 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.78 -44.33 96.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.262 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.5 t -66.2 -42.63 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.97 0.415 . . . . 0.0 109.945 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.431 HE21 HD22 ' C' ' 74' ' ' LEU . 67.3 tp60 -60.8 -44.62 96.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.271 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 15.5 m -56.18 -43.19 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.103 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -60.71 -40.13 91.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.905 0.384 . . . . 0.0 110.526 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.44 -39.4 81.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.833 179.861 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 71' ' ' SER . . . . . 0.451 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 89.2 p . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 121.018 0.437 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.63 -42.16 99.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.722 -177.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.73 -48.27 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 130.109 3.364 . . . . 0.0 110.68 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.451 ' H ' ' HG ' ' C' ' 71' ' ' SER . 98.1 mt -65.9 -39.78 90.91 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.015 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.71 -47.81 91.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.265 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -58.11 -46.49 85.48 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.01 95.8 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.92 0.391 . . . . 0.0 110.413 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.06 -41.5 99.47 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.243 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 48.2 tp -57.35 -46.3 83.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.464 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -67.2 -46.55 73.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.776 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.08 -45.54 93.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.831 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -61.79 -43.45 98.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.305 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.5 p -64.24 -45.66 87.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.197 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.516 ' HG ' ' N ' ' C' ' 85' ' ' MET . 78.1 p -62.91 -49.7 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 85' ' ' MET . . . . . 0.516 ' N ' ' HG ' ' C' ' 84' ' ' SER . 8.7 tpp -57.38 -48.27 79.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.511 -179.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.5 -43.93 97.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.145 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.35 -48.01 81.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.921 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -58.53 -45.47 88.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.293 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -60.51 -44.83 95.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.956 0.408 . . . . 0.0 110.178 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.85 -42.29 97.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.159 0.504 . . . . 0.0 110.033 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.73 -42.52 92.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.346 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 70.1 m -57.28 -46.13 83.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.014 0.435 . . . . 0.0 109.947 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.63 -43.39 96.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.463 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.577 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 76.5 mt -59.47 -43.86 93.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.457 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 89.9 mt -61.33 -43.03 95.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.624 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.52 -39.74 88.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.773 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 mt -62.31 -41.66 98.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.918 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 70.6 m80 -59.78 -40.28 87.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.725 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -61.4 -39.7 91.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.106 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.28 -39.28 93.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.223 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.9 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.365 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.515 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.805 0.812 . . . . 0.0 108.985 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.81 143.09 36.68 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.29 38.51 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.036 -1.04 . . . . 0.0 109.567 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.15 28.45 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.38 18.88 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.054 -1.029 . . . . 0.0 108.383 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.84 144.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.59 37.02 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.102 0.953 . . . . 0.0 110.13 177.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.25 24.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.77 -4.34 19.46 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.9 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.81 85.81 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 119.668 -1.895 . . . . 0.0 110.558 178.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.44 -47.77 12.62 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 124.75 3.633 . . . . 0.0 114.101 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.528 ' ND2' ' CD2' ' C' ' 52' ' ' HIS . 99.6 m-20 -102.14 27.58 6.54 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 116.024 -2.27 . . . . 0.0 108.766 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.79 -143.85 46.62 Favored Glycine 0 N--CA 1.496 2.689 0 C-N-CA 117.682 -2.199 . . . . 0.0 109.559 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.3 tp -88.98 75.88 7.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.923 -1.34 . . . . 0.0 109.501 -177.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.577 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.8 p80 -69.97 175.87 4.13 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 117.921 -1.511 . . . . 0.0 112.19 -178.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 55.0 p -38.96 -67.04 0.23 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.738 HH21 ' NE2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -56.36 -52.24 74.7 Favored Pre-proline 0 N--CA 1.492 1.656 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.546 -177.369 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.7 Cg_endo -64.33 -32.14 61.77 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 120.668 0.912 . . . . 0.0 111.467 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.84 86.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.255 -0.903 . . . . 0.0 109.448 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.73 72.4 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -63.89 -39.46 94.24 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.981 -1.488 . . . . 0.0 109.479 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.544 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.2 t80 -62.61 -45.32 93.44 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 122.59 1.186 . . . . 0.0 108.711 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.75 -42.22 95.39 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.667 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.78 -40.32 96.4 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.277 -0.889 . . . . 0.0 109.833 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.467 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.69 80.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.423 -0.798 . . . . 0.0 109.591 177.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.93 91.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.599 -1.313 . . . . 0.0 109.477 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.41 -16.09 43.21 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 121.288 -0.883 . . . . 0.0 113.351 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.01 -10.54 86.21 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 119.884 -1.76 . . . . 0.0 109.272 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.403 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.29 32.89 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.26 -1.729 . . . . 0.0 110.088 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.62 -29.99 59.37 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.227 -0.921 . . . . 0.0 112.346 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.57 10.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 119.768 -1.832 . . . . 0.0 112.804 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.22 35.38 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 102.865 -3.013 . . . . 0.0 102.865 171.219 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.75 136.55 60.47 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.405 0 CA-C-O 122.195 0.998 . . . . 0.0 109.303 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.403 HG23 ' N ' ' D' ' 335' ' ' VAL . 94.0 m -124.9 143.28 50.93 Favored 'General case' 0 C--N 1.286 -2.174 0 CA-C-O 123.129 1.442 . . . . 0.0 109.957 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.403 ' N ' HG23 ' D' ' 334' ' ' THR . 85.4 t -108.17 129.97 61.51 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.693 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 69.5 m -127.48 119.59 26.43 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.881 -1.137 . . . . 0.0 108.887 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.62 39.31 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.861 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.7 38.92 24.11 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.87 -1.144 . . . . 0.0 112.761 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.74 11.03 83.44 Favored Glycine 0 N--CA 1.501 3.02 0 O-C-N 119.951 -1.718 . . . . 0.0 112.491 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.89 136.2 54.59 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 105.283 -2.118 . . . . 0.0 105.283 177.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.74 158.47 33.2 Favored 'General case' 0 C--N 1.275 -2.645 0 CA-C-O 123.847 1.784 . . . . 0.0 112.449 -176.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.62 151.4 31.47 Favored 'General case' 0 C--N 1.279 -2.499 0 CA-C-N 112.474 -2.148 . . . . 0.0 108.63 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.662 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.56 136.0 48.95 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 173.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.04 -6.74 47.57 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.73 -1.231 . . . . 0.0 110.723 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.662 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.5 12.99 31.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.678 -1.264 . . . . 0.0 109.396 -177.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 38.4 t -133.12 104.19 6.39 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.203 1.001 . . . . 0.0 110.046 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 63.4 tp -57.33 -37.81 73.11 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.926 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -58.88 -51.39 70.24 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.581 -1.325 . . . . 0.0 113.075 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.38 70.44 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.515 -1.991 . . . . 0.0 109.238 -178.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.83 -33.66 75.71 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.966 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -67.72 -10.45 52.61 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 121.683 -0.636 . . . . 0.0 109.954 -177.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 37.8 p -89.82 -7.63 53.91 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 118.069 -1.452 . . . . 0.0 110.936 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.42 159.3 15.31 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.21 -0.931 . . . . 0.0 110.212 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.78 2.96 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 106.969 -2.452 . . . . 0.0 106.969 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 90.3 mt -119.56 47.45 1.71 Allowed 'General case' 0 C--N 1.309 -1.181 0 O-C-N 120.749 -1.442 . . . . 0.0 107.383 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 58.3 p -81.45 172.51 13.43 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.791 -1.163 . . . . 0.0 109.229 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -60.69 140.87 57.34 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 119.339 -0.944 . . . . 0.0 109.839 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.18 78.92 Favored Glycine 0 N--CA 1.501 3.013 0 C-N-CA 119.976 -1.106 . . . . 0.0 111.316 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.41 135.91 34.08 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 120.918 -1.342 . . . . 0.0 110.656 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.5 123.73 48.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.16 160.13 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.322 0 C-N-CA 117.403 -1.719 . . . . 0.0 110.634 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.99 128.36 54.88 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 120.501 -1.374 . . . . 0.0 107.598 175.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.82 121.41 60.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 176.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.27 50.71 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -179.524 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.38 47.15 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.759 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.515 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.79 6.43 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 118.55 -1.26 . . . . 0.0 108.009 178.183 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.27 40.15 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 117.989 -2.053 . . . . 0.0 110.347 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.46 -40.48 82.78 Favored 'General case' 0 C--N 1.277 -2.569 0 CA-C-N 114.408 -0.896 . . . . 0.0 112.165 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.06 36.7 3.58 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 115.918 -2.313 . . . . 0.0 108.538 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.39 -33.52 65.84 Favored 'General case' 0 N--CA 1.523 3.18 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 -174.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.48 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.64 27.42 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 119.586 -1.947 . . . . 0.0 110.958 -176.548 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.774 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.71 97.8 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.5 77.6 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.48 -1.688 . . . . 0.0 109.995 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.3 t -66.77 -42.26 89.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.255 1.026 . . . . 0.0 109.268 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.88 -47.89 76.57 Favored 'General case' 0 C--N 1.287 -2.123 0 CA-C-O 122.081 0.943 . . . . 0.0 108.757 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.774 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.74 -38.37 76.8 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.748 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.544 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.8 mt -75.55 -28.66 59.1 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.421 -1.425 . . . . 0.0 110.93 -174.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.51 71.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.85 -49.3 62.89 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.467 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.18 -45.24 83.86 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.536 177.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.36 -37.36 85.36 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.845 -1.159 . . . . 0.0 111.549 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.86 61.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.112 -0.993 . . . . 0.0 110.248 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.91 -32.29 45.65 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.491 -0.756 . . . . 0.0 111.359 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.06 125.52 12.36 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 124.376 2.036 . . . . 0.0 112.843 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.9 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.0 mm-40 . . . . . 0 C--N 1.277 -2.554 0 CA-C-N 111.163 -2.744 . . . . 0.0 110.088 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -63.29 -48.63 77.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.01 0.433 . . . . 0.0 110.31 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.95 -37.33 84.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.243 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.93 -43.32 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.01 -44.87 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.947 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -58.74 -41.98 87.73 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.67 -41.54 97.68 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 mt -63.18 -43.36 98.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.187 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.28 -43.98 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.804 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.72 -44.22 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.947 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -61.74 -45.91 91.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.84 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.3 m -60.77 -44.25 97.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.997 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.5 -42.46 97.5 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.738 ' NE2' HH21 ' D' ' 317' ' ' ARG . 91.3 mm-40 -63.63 -45.67 89.18 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.56 80.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.837 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -59.99 -45.94 91.07 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 m -57.1 -43.97 82.78 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.73 -42.18 99.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.693 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.64 -48.66 77.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -59.48 -39.44 83.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.63 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.95 95.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.768 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.26 91.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.595 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.459 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -56.12 -41.51 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.1 -41.03 97.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.74 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.39 97.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.71 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.48 -29.1 69.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.02 -3.75 49.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.483 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.79 14.58 67.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.7 79.37 2.23 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.785 0.326 . . . . 0.0 110.259 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -65.2 -34.26 77.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.663 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.5 78.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.055 0.455 . . . . 0.0 110.745 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -35.4 80.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.52 84.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.556 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.51 -41.62 98.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.634 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.25 93.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.793 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.3 mmm -65.24 -40.74 94.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.516 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.17 -41.63 99.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.628 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -63.0 -44.8 95.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.022 0.439 . . . . 0.0 110.546 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -63.68 -41.48 98.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.246 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -61.5 -45.18 95.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.589 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -60.85 -43.1 98.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.257 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.9 -43.93 97.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.145 0.498 . . . . 0.0 110.526 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.71 98.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.17 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' CD2' ' HG ' ' A' ' 84' ' ' SER . 12.0 mt -65.6 -39.63 91.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.667 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -59.99 -43.84 94.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.245 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.17 -38.49 90.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.236 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.4 80.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.48 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -63.57 -37.5 87.56 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.441 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.97 -41.94 97.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.376 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.07 -43.37 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.045 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -60.45 -42.06 95.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.29 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.0 m -56.84 -44.21 81.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.041 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.98 -39.6 95.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.917 0.389 . . . . 0.0 110.53 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.09 -30.61 71.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.693 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.4 HD11 HG21 ' A' ' 59' ' ' ILE . 96.5 mt -83.17 -34.54 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.861 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 -179.607 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 54.0 t . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.972 0.415 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.597 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 84.0 p -129.65 162.56 28.03 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.25 -44.99 84.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.9 t -63.6 -47.41 91.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.514 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.597 ' H ' ' HG ' ' A' ' 71' ' ' SER . 91.8 mt -62.95 -40.33 97.33 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.043 0.449 . . . . 0.0 110.911 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.91 -47.35 89.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.145 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -58.93 -44.61 91.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.804 0.335 . . . . 0.0 110.364 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.08 89.89 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.668 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.24 -41.52 99.09 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.067 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.79 -46.53 84.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.421 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.411 ' O ' ' OG1' ' A' ' 83' ' ' THR . 68.6 m80 -67.74 -48.46 66.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.43 ' O ' ' OG ' ' A' ' 84' ' ' SER . 14.7 mt -61.83 -44.97 95.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.808 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -60.6 -44.64 96.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.185 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 21.3 p -61.8 -43.99 97.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.07 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.49 ' HG ' ' CD2' ' A' ' 48' ' ' LEU . 78.1 p -62.81 -48.52 78.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.515 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.436 ' CE ' HH12 ' B' ' 19' ' ' ARG . 54.0 ttp -58.05 -47.77 82.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.523 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.22 -45.0 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.032 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.17 -45.36 91.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.806 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -58.31 -47.14 84.65 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.075 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 99.1 mt-10 -61.52 -43.53 98.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.024 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.95 -43.76 91.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.172 0.511 . . . . 0.0 109.852 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.96 -42.54 93.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.272 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -57.64 -45.52 85.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.05 0.452 . . . . 0.0 109.902 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.417 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 98.2 mt-10 -63.69 -42.75 97.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.563 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.508 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 77.6 mt -59.95 -43.7 94.84 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.431 HD11 HG23 ' A' ' 95' ' ' ILE . 88.7 mt -60.84 -42.95 94.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.505 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.56 -40.21 90.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.134 0.492 . . . . 0.0 109.763 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.45 -41.39 98.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.901 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 63.3 m80 -58.61 -41.0 84.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.9 -39.06 84.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.19 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.7 -35.22 80.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.278 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 179.442 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -63.42 -48.72 76.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.902 0.382 . . . . 0.0 110.285 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.61 -37.35 84.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.159 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.16 -43.12 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.324 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.26 -44.71 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.868 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.08 -41.88 89.07 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.41 -41.8 97.91 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.2 mt -63.08 -43.34 98.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.746 0.308 . . . . 0.0 110.357 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.408 HD11 HG22 ' B' ' 12' ' ' ILE . 95.8 mt -63.31 -44.15 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.719 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.63 -44.01 98.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.892 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.91 -46.09 90.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.822 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -60.63 -44.28 96.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.055 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.36 -42.28 97.77 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.87 -45.78 87.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.96 -48.75 79.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.9 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 69.9 ttt180 -60.02 -45.95 91.11 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.8 m -56.97 -44.04 82.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.51 -42.76 99.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.783 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.64 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.51 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 21.9 m-85 -59.64 -39.36 84.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.693 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.16 96.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.719 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.65 -43.45 89.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.635 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.62 -44.71 96.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.34 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -55.97 -41.62 75.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.86 -41.3 97.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.836 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.75 96.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.712 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.37 -29.05 69.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.086 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.14 -3.73 50.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.39 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.71 14.68 67.26 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -99.66 79.06 2.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.781 0.324 . . . . 0.0 110.299 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -65.22 -33.91 77.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.57 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.79 76.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.052 0.454 . . . . 0.0 110.808 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.19 -35.21 80.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.422 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.54 84.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.507 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 110.575 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.48 92.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.666 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 97.4 mmm -65.3 -40.55 93.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.12 -42.15 99.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.553 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -62.63 -44.96 94.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.45 -41.72 98.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.27 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -61.37 -45.45 94.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -60.53 -43.1 97.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 110.33 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.82 -43.91 97.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.313 0.578 . . . . 0.0 110.643 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.58 98.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.236 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.483 ' CD2' ' HG ' ' B' ' 84' ' ' SER . 11.8 mt -65.7 -39.46 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.695 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' B' ' 49' ' ' ASN . 51.4 t-20 -60.02 -44.07 94.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.312 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.9 -38.83 92.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.153 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.52 82.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.455 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -63.61 -37.73 88.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.326 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.76 -42.06 96.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.0 -43.45 97.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.101 0.477 . . . . 0.0 110.035 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -60.52 -41.94 95.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.267 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.4 m -56.98 -44.25 82.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.931 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.94 -39.69 95.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.859 0.361 . . . . 0.0 110.546 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.0 -30.71 71.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.643 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -82.96 -34.75 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.786 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.523 -179.483 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 68.1 t . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 120.811 0.338 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.582 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 89.8 p -129.03 164.43 23.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.568 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.97 -44.42 94.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.524 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.89 -46.75 95.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.655 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.582 ' H ' ' HG ' ' B' ' 71' ' ' SER . 92.7 mt -63.39 -40.01 96.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.7 t -58.97 -47.04 91.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.308 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -58.97 -45.13 91.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.16 91.06 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.903 0.382 . . . . 0.0 110.421 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -63.09 -41.64 99.45 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.204 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.84 -46.73 84.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.415 ' O ' ' OG1' ' B' ' 83' ' ' THR . 69.3 m80 -67.38 -48.58 67.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.743 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.411 ' O ' ' OG ' ' B' ' 84' ' ' SER . 14.7 mt -61.88 -44.97 95.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -60.54 -44.63 95.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.238 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 20.6 p -61.69 -44.12 97.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' SER . . . . . 0.483 ' HG ' ' CD2' ' B' ' 48' ' ' LEU . 78.2 p -62.87 -48.56 78.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' MET . . . . . 0.423 ' CE ' HH12 ' C' ' 19' ' ' ARG . 53.6 ttp -57.89 -47.79 81.75 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.525 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.34 -44.54 97.01 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.096 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.62 90.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.839 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -58.29 -46.91 85.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.228 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 99.1 mt-10 -61.74 -43.74 98.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.166 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.76 -43.58 92.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.103 0.477 . . . . 0.0 109.982 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.02 -42.6 93.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.161 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.44 -45.64 84.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.068 0.461 . . . . 0.0 109.871 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . 0.41 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 98.6 mt-10 -63.92 -42.59 97.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.472 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.485 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 77.9 mt -59.85 -43.82 94.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.429 HD11 HG23 ' B' ' 95' ' ' ILE . 89.3 mt -60.76 -43.17 94.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.502 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.31 -40.2 89.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.78 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.39 -41.65 98.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.833 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 63.6 m80 -58.4 -40.81 83.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.762 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.19 -38.76 84.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.043 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.22 -35.0 79.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.198 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.442 179.473 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.675 0.274 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -63.3 -48.63 77.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 110.456 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.99 -36.76 82.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.331 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.44 -43.11 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.354 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.31 -44.69 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.006 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.6 mtp -59.2 -42.15 90.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.12 -41.91 98.25 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 30.6 mt -62.75 -43.69 98.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.364 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.419 HG22 HD11 ' C' ' 12' ' ' ILE . 95.6 mt -63.15 -44.06 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.7 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.52 -44.19 98.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.006 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.83 -45.87 91.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.856 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 66.4 m -60.67 -44.3 96.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.161 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.48 -42.25 97.62 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -63.7 -45.62 89.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.81 79.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 70.5 ttt180 -60.06 -45.55 92.47 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 64.9 m -57.46 -44.08 84.51 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.37 -42.39 99.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.675 178.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.55 -48.68 76.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.518 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.1 m-85 -59.52 -39.26 83.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.555 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.75 96.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.721 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.11 92.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.578 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.8 -45.03 95.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.364 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -55.7 -41.94 74.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.939 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.69 96.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.824 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.49 -29.24 69.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.048 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -79.61 -4.17 50.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.29 14.32 66.59 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.56 79.21 2.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.78 0.324 . . . . 0.0 110.283 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.31 -33.97 77.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.483 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.44 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 110.697 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.26 80.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.373 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.04 86.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.455 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.98 -41.9 99.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.521 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.28 94.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.75 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 97.5 mmm -65.2 -40.98 94.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 3.4 mmt -63.06 -41.84 99.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.597 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -63.05 -44.78 94.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.399 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -63.45 -42.01 98.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -61.01 -45.58 94.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -60.45 -43.08 97.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.872 0.367 . . . . 0.0 110.34 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.72 -44.26 96.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.366 0.603 . . . . 0.0 110.494 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.21 -43.79 98.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.334 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.493 ' CD2' ' HG ' ' C' ' 84' ' ' SER . 11.8 mt -65.61 -39.85 91.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.77 -43.84 94.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.387 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.15 -39.07 92.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.03 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.77 82.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.465 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.528 ' CD2' ' ND2' ' D' ' 312' ' ' ASN . 29.2 t-80 -63.48 -37.64 88.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.29 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.03 -41.86 97.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.336 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -63.88 -43.44 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.044 0.449 . . . . 0.0 109.957 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -60.62 -42.16 96.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.264 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 76.5 m -56.52 -44.4 80.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.129 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -63.1 -39.32 94.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.501 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.88 -30.97 71.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.838 -179.525 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 71' ' ' SER . . . . . 0.571 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 89.7 p . . . . . 0 C--O 1.227 -0.127 0 CA-C-O 121.05 0.453 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.6 -43.61 98.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.689 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.14 -47.29 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 130.061 3.344 . . . . 0.0 110.636 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.571 ' H ' ' HG ' ' C' ' 71' ' ' SER . 97.1 mt -65.28 -39.73 92.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 177.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.23 -47.45 90.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.186 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -59.2 -45.1 91.96 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.89 91.85 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.814 0.34 . . . . 0.0 110.393 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.47 -41.27 98.61 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.27 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.12 -46.73 85.1 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.547 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.41 ' O ' ' OG1' ' C' ' 83' ' ' THR . 69.5 m80 -67.57 -48.17 67.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.738 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . 0.433 ' O ' ' OG ' ' C' ' 84' ' ' SER . 14.7 mt -62.12 -45.01 95.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.848 -178.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -60.56 -44.53 96.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.361 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 83' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 21.8 p -61.83 -43.9 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.15 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 84' ' ' SER . . . . . 0.493 ' HG ' ' CD2' ' C' ' 48' ' ' LEU . 77.7 p -63.11 -48.21 79.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.552 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 54.6 ttp -58.1 -48.14 81.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.705 0.288 . . . . 0.0 110.479 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.98 -44.89 96.72 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.131 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.1 88.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.935 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -57.86 -47.27 83.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.262 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.21 -43.61 98.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.903 0.383 . . . . 0.0 110.179 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.12 -43.63 91.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 0.0 110.024 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . 0.404 HD11 HG21 ' C' ' 91' ' ' ILE . 75.6 mt -60.86 -42.61 93.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.347 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.41 -45.67 84.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.092 0.472 . . . . 0.0 109.982 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.86 -42.81 97.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.497 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.475 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 78.6 mt -59.59 -43.83 93.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.405 HG23 HD11 ' C' ' 95' ' ' ILE . 88.5 mt -60.73 -43.12 94.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.561 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -39.92 89.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.709 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.49 -41.57 98.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.857 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.475 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.1 m80 -58.5 -41.32 85.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -59.72 -38.89 82.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.86 -35.16 80.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.224 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 87.8 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.267 179.705 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.512 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.71 0 CA-C-O 121.873 0.844 . . . . 0.0 108.898 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.79 142.97 36.68 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.26 38.52 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.968 -1.083 . . . . 0.0 109.528 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.1 149.19 28.54 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.27 19.02 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.999 -1.063 . . . . 0.0 108.392 178.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.29 19.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 107.499 -1.296 . . . . 0.0 107.499 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.5 m -96.64 136.55 37.01 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.164 0.983 . . . . 0.0 110.192 177.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.94 114.31 24.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.86 -4.33 19.34 Favored 'General case' 0 C--N 1.265 -3.085 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.908 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.85 85.85 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 119.765 -1.834 . . . . 0.0 110.661 178.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.49 -47.67 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.725 3.617 . . . . 0.0 114.172 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -102.17 27.57 6.56 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 116.066 -2.254 . . . . 0.0 108.787 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 71.11 -93.73 0.52 Allowed Glycine 0 N--CA 1.496 2.655 0 C-N-CA 117.674 -2.203 . . . . 0.0 109.617 -175.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . 0.526 ' CD1' ' O ' ' D' ' 314' ' ' LEU . 0.8 OUTLIER -169.99 59.14 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.904 -1.351 . . . . 0.0 109.524 179.82 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.556 ' CE1' ' OG1' ' D' ' 316' ' ' THR . 3.1 p80 -52.69 -171.56 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 117.856 -1.538 . . . . 0.0 112.09 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.556 ' OG1' ' CE1' ' D' ' 315' ' ' HIS . 44.9 p -31.23 -65.95 0.12 Allowed 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -176.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.526 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -45.21 -65.79 0.59 Allowed Pre-proline 0 N--CA 1.492 1.674 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.581 -176.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.67 -32.18 57.94 Favored 'Trans proline' 0 N--CA 1.484 0.963 0 C-N-CA 121.259 1.306 . . . . 0.0 111.514 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.88 86.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.196 -0.94 . . . . 0.0 109.471 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.8 72.56 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -64.0 -39.31 93.82 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.964 -1.494 . . . . 0.0 109.459 177.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.55 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.41 92.96 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.598 1.19 . . . . 0.0 108.698 -177.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.6 -42.2 95.04 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.281 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.694 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -63.89 -40.28 96.14 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 109.708 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.462 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.84 80.2 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.453 -0.779 . . . . 0.0 109.564 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.94 91.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.599 -1.313 . . . . 0.0 109.482 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.38 -16.25 44.51 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.53 86.11 Favored Glycine 0 N--CA 1.479 1.551 0 O-C-N 119.956 -1.715 . . . . 0.0 109.246 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.405 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.5 143.32 32.88 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.275 -1.721 . . . . 0.0 110.023 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.62 -30.06 59.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.254 -0.903 . . . . 0.0 112.315 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.57 10.08 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 119.723 -1.861 . . . . 0.0 112.826 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.3 35.43 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 102.798 -3.038 . . . . 0.0 102.798 171.268 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.74 136.56 60.44 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.448 0 CA-C-O 122.215 1.007 . . . . 0.0 109.287 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.407 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.6 m -124.95 143.12 51.04 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-O 123.092 1.425 . . . . 0.0 110.025 178.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.407 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.0 130.01 61.19 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.718 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 69.8 m -127.52 119.47 26.11 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.844 -1.16 . . . . 0.0 108.944 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.5 122.61 39.32 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.534 -0.729 . . . . 0.0 109.918 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.7 38.92 24.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.936 -1.103 . . . . 0.0 112.798 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.67 11.07 83.46 Favored Glycine 0 N--CA 1.501 3.006 0 O-C-N 119.913 -1.742 . . . . 0.0 112.57 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.9 m -124.75 158.55 33.02 Favored 'General case' 0 C--N 1.275 -2.651 0 CA-C-O 123.83 1.776 . . . . 0.0 112.388 -176.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.5 31.56 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.45 -2.159 . . . . 0.0 108.569 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.666 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.7 135.95 48.66 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 173.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.92 -6.81 47.7 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.724 -1.235 . . . . 0.0 110.72 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.666 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.52 12.93 31.71 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.627 -1.296 . . . . 0.0 109.393 -177.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.0 t -133.04 104.12 6.37 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 122.178 0.99 . . . . 0.0 110.145 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.19 -37.96 72.93 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.982 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -58.83 -51.37 70.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.61 -1.306 . . . . 0.0 113.126 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.05 -32.46 70.58 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 119.498 -2.001 . . . . 0.0 109.193 -178.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.77 -33.7 75.7 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.939 -1.105 . . . . 0.0 109.965 -177.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -67.71 -10.49 52.96 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.646 -0.659 . . . . 0.0 109.87 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.5 p -89.69 -7.8 53.79 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 118.188 -1.405 . . . . 0.0 110.961 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.26 159.35 15.31 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.157 -0.964 . . . . 0.0 110.153 -178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.74 104.84 2.97 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 177.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 74.3 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.135 0 O-C-N 120.638 -1.507 . . . . 0.0 107.335 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 58.2 p -81.41 172.51 13.46 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.246 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.68 140.85 57.33 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.817 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.49 -3.18 78.72 Favored Glycine 0 N--CA 1.501 3.025 0 C-N-CA 120.043 -1.075 . . . . 0.0 111.344 177.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.46 136.0 34.02 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.888 -1.36 . . . . 0.0 110.594 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.61 123.72 49.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 176.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.18 160.11 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.338 0 C-N-CA 117.412 -1.715 . . . . 0.0 110.622 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 89.7 m -108.91 128.39 54.89 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.487 -1.383 . . . . 0.0 107.567 175.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.86 121.49 60.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 176.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.407 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.2 50.71 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.608 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.48 47.23 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.478 -1.289 . . . . 0.0 109.753 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.25 110.79 6.41 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 118.524 -1.271 . . . . 0.0 108.031 178.205 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.25 -170.33 40.16 Favored Glycine 0 C--N 1.296 -1.65 0 C-N-CA 117.963 -2.065 . . . . 0.0 110.319 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.29 -40.66 82.54 Favored 'General case' 0 C--N 1.276 -2.605 0 CA-C-N 114.327 -0.936 . . . . 0.0 112.239 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.08 36.84 3.53 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 115.894 -2.322 . . . . 0.0 108.625 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.36 -33.62 65.85 Favored 'General case' 0 N--CA 1.521 3.086 0 N-CA-C 116.82 2.155 . . . . 0.0 116.82 -174.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.471 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.61 27.76 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 119.621 -1.924 . . . . 0.0 110.984 -176.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.773 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.55 -40.68 97.62 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.43 77.86 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.452 -1.699 . . . . 0.0 110.058 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.7 t -66.81 -42.26 88.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-O 122.216 1.008 . . . . 0.0 109.314 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.91 -47.9 76.63 Favored 'General case' 0 C--N 1.286 -2.191 0 CA-C-O 122.059 0.933 . . . . 0.0 108.724 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.773 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.77 -38.32 76.68 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.707 -178.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.5 mt -75.61 -28.64 58.95 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.371 -1.456 . . . . 0.0 110.919 -174.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.5 71.41 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.42 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.82 -49.39 62.51 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.462 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.17 -45.18 83.89 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.552 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.39 -37.37 85.5 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.871 -1.143 . . . . 0.0 111.547 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.84 61.66 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.122 -0.986 . . . . 0.0 110.227 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.88 -32.29 45.84 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.455 -0.778 . . . . 0.0 111.328 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.13 125.5 12.43 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 124.388 2.042 . . . . 0.0 112.853 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.908 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 32.0 tt0 . . . . . 0 C--N 1.278 -2.514 0 CA-C-N 111.094 -2.775 . . . . 0.0 110.151 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.73 -49.42 75.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.254 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.79 -36.22 82.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.274 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.73 -43.05 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.339 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.05 -45.83 97.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.985 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.0 -42.22 89.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.02 -41.41 99.88 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.6 mt -63.6 -43.21 97.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.901 0.382 . . . . 0.0 110.243 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.01 -44.65 99.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.755 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.08 -44.63 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.967 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -45.73 92.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.743 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.5 m -59.92 -44.29 94.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.003 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.526 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.12 -42.64 99.45 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.77 -44.55 93.07 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.91 -49.28 77.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -61.02 -45.23 95.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.9 t -56.2 -44.5 79.53 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.48 -41.0 96.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.721 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.82 -47.68 81.95 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -59.51 -42.07 91.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.639 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.79 89.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.745 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.85 89.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.675 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.7 -44.79 96.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.491 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.21 -42.73 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.2 -41.27 92.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.818 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.25 93.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.7 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.21 -30.08 70.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.15 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.38 -3.86 51.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.415 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.36 13.07 79.51 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -95.49 81.24 3.53 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.248 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -64.92 -34.41 78.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.65 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.94 81.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.057 0.456 . . . . 0.0 110.735 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.58 80.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.348 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -48.29 79.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.586 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.38 -43.95 96.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.684 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.81 99.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.7 mmm -65.46 -42.32 92.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.517 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.8 mtm -63.84 -41.1 97.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.633 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.28 -45.54 92.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 0.0 110.531 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.96 -41.5 97.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.2 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.3 m -60.52 -45.67 92.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.56 -42.53 96.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.85 -43.12 98.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.238 0.542 . . . . 0.0 110.605 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.76 99.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.213 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.75 -40.77 95.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.691 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -60.63 -41.9 95.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.248 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.1 -39.88 93.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.228 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.65 -43.75 83.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.476 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.29 -37.71 88.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.19 -43.56 98.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.309 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.84 -44.03 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.033 0.444 . . . . 0.0 110.019 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -60.78 -43.25 98.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.269 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -59.83 -41.93 92.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.015 0.436 . . . . 0.0 110.025 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.18 -34.51 73.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.513 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.65 -60.07 2.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.735 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.0 mt -56.39 -36.75 48.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.858 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 -179.517 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.949 0.404 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 p -129.92 162.16 29.24 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.4 mt -57.09 -45.74 83.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.672 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.06 -47.83 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 120.896 0.379 . . . . 0.0 110.548 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.22 -40.93 98.87 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.26 -47.18 91.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.155 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.16 -44.74 92.13 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.313 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.46 89.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.609 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.3 -41.45 98.96 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.169 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.4 tp -57.79 -45.93 85.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.425 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -67.06 -46.83 73.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.713 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.67 -45.52 93.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.854 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.43 -43.48 98.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.242 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.9 p -64.15 -47.15 81.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.128 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.43 -49.12 76.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -58.05 -47.4 83.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.566 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.29 -45.36 93.63 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.103 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.4 85.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.856 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -58.16 -45.28 87.74 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.132 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.584 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 96.1 mt-10 -62.41 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.042 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.88 -42.74 94.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.178 0.513 . . . . 0.0 109.863 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.61 -41.94 89.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.0 m -58.12 -45.55 87.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.018 0.437 . . . . 0.0 109.917 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.91 -43.71 98.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.542 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.559 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 81.0 mt -59.45 -43.34 93.2 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.94 -42.87 96.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.547 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.543 ' OE2' ' NZ ' ' B' ' 30' ' ' LYS . 81.1 tt0 -61.59 -38.76 88.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.79 -41.46 97.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.862 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.559 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.4 m80 -59.58 -38.12 80.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -62.24 -40.61 96.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.204 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -64.39 -38.94 92.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.244 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.431 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 120.57 0.224 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.9 -49.21 75.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 110.33 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.64 -36.44 83.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.218 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.6 -42.92 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.2 t -61.25 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.851 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.22 -41.97 89.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.06 -41.91 99.72 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.23 -43.02 99.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.409 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.46 -44.53 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.732 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.13 -44.34 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.92 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -45.95 91.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.811 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.1 m -59.73 -44.3 93.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.141 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -42.53 99.34 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -63.47 -44.92 93.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.28 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.879 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.584 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 68.8 ttt180 -61.07 -45.34 95.13 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.1 t -56.14 -44.12 78.91 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.62 -41.52 97.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.733 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.55 -47.73 81.23 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.3 m-85 -59.22 -42.3 90.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.663 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.61 88.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.738 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.62 91.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.658 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.93 -44.85 95.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.333 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -55.08 -43.1 73.6 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -59.87 -41.25 91.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.933 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.12 93.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.75 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OE2' ' A' ' 96' ' ' GLU . 67.8 mttm -61.12 -30.27 70.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.02 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -80.15 -4.09 51.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.42 13.12 79.3 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.49 81.2 3.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 110.293 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -65.03 -34.55 78.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.603 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.44 -47.95 81.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.97 0.415 . . . . 0.0 110.753 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.77 81.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.434 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -48.17 79.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.526 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.47 -44.26 96.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.76 99.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.68 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.5 mmm -65.66 -42.32 91.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.613 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 74.1 mtm -63.73 -41.26 98.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.549 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -62.11 -45.7 92.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.444 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.81 -41.68 97.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.272 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -60.33 -45.87 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.441 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -60.49 -42.45 96.35 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.327 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.81 -42.93 98.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.267 0.556 . . . . 0.0 110.657 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.05 99.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.186 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.38 -40.67 93.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.77 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -60.78 -41.62 95.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.299 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.23 -40.26 93.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.156 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.13 85.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.391 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.99 -38.15 90.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.288 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.75 -43.83 97.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.332 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.65 -43.6 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.049 0.452 . . . . 0.0 110.012 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -61.27 -43.06 99.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.187 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.5 m -60.17 -41.87 93.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.959 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.31 -34.22 73.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.906 0.384 . . . . 0.0 110.553 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.0 mt -71.9 -60.08 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.703 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 69.4 mt -56.28 -36.97 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.764 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.489 -179.419 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 14.9 p -129.41 164.24 24.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.548 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.6 mt -59.78 -45.25 92.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.57 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 67.3 t -63.49 -46.83 94.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.646 -178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 98.5 mt -63.84 -40.13 95.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.97 -47.51 91.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.268 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.19 -44.71 92.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.341 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.16 -43.55 91.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.896 0.379 . . . . 0.0 110.41 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.5 -41.56 98.53 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.241 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 46.3 tp -57.65 -45.87 84.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.35 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -66.88 -47.22 72.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.786 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.38 -45.48 94.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -62.46 -43.39 98.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.188 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 21.7 p -64.36 -46.85 81.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.149 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -62.65 -49.36 75.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.59 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -57.82 -47.56 82.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.528 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.85 -45.96 91.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.151 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.5 85.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.86 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -57.87 -45.54 86.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.262 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.7 mt-10 -62.04 -43.19 99.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.198 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.62 -42.57 95.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.066 0.46 . . . . 0.0 110.034 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.7 mt -60.77 -42.14 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.217 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.7 m -58.0 -45.5 86.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.028 0.442 . . . . 0.0 109.869 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.14 -43.37 98.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.515 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.552 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 81.6 mt -59.53 -43.64 93.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.81 -42.72 95.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.536 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . 0.526 ' OE2' ' NZ ' ' C' ' 30' ' ' LYS . 80.1 tt0 -61.52 -39.4 90.88 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.38 -41.18 96.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.83 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.7 m80 -59.75 -38.32 81.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.23 -40.47 96.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.105 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -64.6 -38.76 92.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.201 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 40.6 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.407 179.777 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 65.5 mt . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.569 0.223 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.73 -49.79 73.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.29 -36.13 83.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.25 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.83 -42.9 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.21 -45.55 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.021 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.36 -41.88 90.27 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.35 -41.55 99.41 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 32.5 mt -63.43 -43.15 98.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.851 0.358 . . . . 0.0 110.352 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.21 -44.68 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.71 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.77 -44.5 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.042 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -45.6 93.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.852 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 m -59.89 -44.22 94.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.202 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.54 -42.3 98.93 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -63.58 -44.79 93.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.78 -49.51 76.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.574 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 69.0 ttt180 -61.05 -45.21 95.67 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 40.1 t -56.23 -44.21 79.38 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.62 -41.61 97.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.696 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.78 80.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.0 m-85 -59.29 -42.41 91.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.523 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.55 89.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.722 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.59 90.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.6 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -62.02 -44.73 96.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.41 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -55.16 -42.94 73.76 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -60.15 -41.07 91.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.939 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.1 93.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.788 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . 0.526 ' NZ ' ' OE2' ' B' ' 96' ' ' GLU . 68.0 mttm -61.28 -30.07 70.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.064 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -80.11 -4.01 51.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.467 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.24 13.2 79.42 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -95.73 81.25 3.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.758 0.313 . . . . 0.0 110.202 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -64.98 -34.48 78.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.578 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.95 81.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.018 0.437 . . . . 0.0 110.695 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.8 -35.82 81.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.344 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.25 -48.23 79.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.515 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.42 -44.17 96.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.634 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.88 99.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.8 mmm -65.56 -42.19 92.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.405 ' SD ' ' CD1' ' C' ' 95' ' ' ILE . 74.2 mtm -64.02 -41.26 97.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.606 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.09 -45.64 92.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.396 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.76 -41.72 97.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.288 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -60.27 -45.77 92.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.531 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.71 -42.33 97.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.364 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.61 -43.54 97.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.282 0.563 . . . . 0.0 110.563 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.51 99.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.313 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.28 -40.59 94.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.721 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -60.95 -41.29 96.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.347 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.41 -40.31 93.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.033 0.444 . . . . 0.0 110.028 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.9 85.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.486 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.05 -38.15 90.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.261 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.11 -43.78 98.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.286 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 66.2 t -65.14 -44.27 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.062 0.458 . . . . 0.0 110.016 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -60.67 -43.65 97.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.188 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.6 m -59.57 -41.98 91.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.136 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.32 -34.12 73.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.912 0.387 . . . . 0.0 110.526 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -71.84 -59.97 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.819 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 69.1 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.825 179.629 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 120.996 0.427 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.38 -44.53 97.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.666 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.77 -47.33 89.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 130.068 3.347 . . . . 0.0 110.641 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.65 -40.2 92.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.027 0.441 . . . . 0.0 110.94 177.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.97 -47.87 90.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.2 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -59.43 -44.73 92.83 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.329 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.18 92.21 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.92 0.39 . . . . 0.0 110.474 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.79 -41.49 97.93 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.272 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 46.0 tp -57.58 -46.24 84.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.46 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -66.58 -47.17 73.61 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.737 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.59 -45.47 93.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.809 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.37 -43.24 99.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.31 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.7 p -64.54 -46.79 81.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.166 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.76 -49.13 76.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.539 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.83 -47.86 81.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.632 0.253 . . . . 0.0 110.499 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.93 -45.63 92.86 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.18 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.22 -47.61 84.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.946 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -57.76 -45.87 85.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.221 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.51 -43.56 98.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.199 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.5 -42.74 95.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.471 . . . . 0.0 109.981 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . 0.421 HD12 HG23 ' C' ' 91' ' ' ILE . 77.9 mt -60.43 -42.33 90.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.384 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 91.0 m -57.54 -45.92 84.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.09 0.471 . . . . 0.0 109.966 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.93 -43.43 98.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.457 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.553 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.6 mt -59.42 -43.42 93.05 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.405 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 90.0 mt -62.01 -42.94 96.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.557 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.04 -39.3 89.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.076 0.465 . . . . 0.0 109.765 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.46 -41.53 97.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.88 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.553 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.4 m80 -59.54 -38.11 80.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.705 179.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.49 -40.46 96.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.133 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -64.42 -39.0 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.189 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.367 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.514 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 121.886 0.85 . . . . 0.0 108.978 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.453 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.76 143.07 36.78 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.497 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.33 38.55 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.96 -1.087 . . . . 0.0 109.531 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.22 149.14 28.4 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.92 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.001 -1.062 . . . . 0.0 108.371 178.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.88 144.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.76 136.55 37.15 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 122.202 1.001 . . . . 0.0 110.082 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.83 114.25 24.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.87 -4.3 19.36 Favored 'General case' 0 C--N 1.265 -3.104 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.9 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.45 141.88 86.02 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.65 -1.906 . . . . 0.0 110.628 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.56 -47.67 13.03 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 124.759 3.639 . . . . 0.0 114.188 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.511 HD22 ' CD2' ' D' ' 315' ' ' HIS . 22.7 p30 -102.15 27.54 6.57 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 116.048 -2.261 . . . . 0.0 108.754 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.16 -145.61 44.0 Favored Glycine 0 N--CA 1.496 2.67 0 C-N-CA 117.677 -2.202 . . . . 0.0 109.605 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.0 tp -88.42 79.7 7.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.932 -1.334 . . . . 0.0 109.562 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.511 ' CD2' HD22 ' D' ' 312' ' ' ASN . 2.7 p80 -76.32 177.32 7.38 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 117.834 -1.547 . . . . 0.0 112.118 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 77.7 p -36.32 -69.43 0.11 Allowed 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 117.291 2.33 . . . . 0.0 117.291 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.408 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 6.9 tmm_? -56.49 -52.32 74.2 Favored Pre-proline 0 N--CA 1.493 1.69 0 C-N-CA 120.071 -0.651 . . . . 0.0 112.542 -176.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.21 -32.17 62.99 Favored 'Trans proline' 0 C--N 1.318 -1.066 0 CA-C-N 119.503 0.858 . . . . 0.0 111.557 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.05 -38.76 86.39 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.481 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.74 72.56 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.97 -39.36 93.96 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 118.003 -1.479 . . . . 0.0 109.485 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.544 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.71 -45.3 93.36 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 122.63 1.205 . . . . 0.0 108.705 -177.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.68 -42.18 95.1 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.668 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.86 -40.24 96.08 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.311 -0.868 . . . . 0.0 109.819 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.8 -39.72 79.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.418 -0.801 . . . . 0.0 109.571 177.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.93 92.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.611 -1.306 . . . . 0.0 109.463 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.27 -16.29 44.0 Favored 'General case' 0 N--CA 1.511 2.595 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.58 86.07 Favored Glycine 0 N--CA 1.479 1.505 0 O-C-N 119.91 -1.744 . . . . 0.0 109.317 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.403 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.4 32.76 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.377 -1.66 . . . . 0.0 110.034 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.3 p -75.59 -30.14 59.52 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.188 -0.945 . . . . 0.0 112.316 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.76 158.5 10.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 119.772 -1.83 . . . . 0.0 112.836 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.582 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.88 130.21 35.4 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 102.87 -3.011 . . . . 0.0 102.87 171.228 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.69 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-O 122.171 0.986 . . . . 0.0 109.358 -178.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.9 143.21 50.97 Favored 'General case' 0 C--N 1.284 -2.239 0 CA-C-O 123.027 1.394 . . . . 0.0 110.013 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . . . . . . . . . 85.7 t -108.17 129.94 61.58 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.762 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 69.7 m -127.46 119.58 26.43 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.858 -1.151 . . . . 0.0 108.927 -178.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.59 122.61 39.27 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.847 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.77 38.98 24.53 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.88 -1.138 . . . . 0.0 112.698 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.05 83.58 Favored Glycine 0 N--CA 1.501 3.012 0 O-C-N 119.963 -1.711 . . . . 0.0 112.558 177.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.85 136.26 54.56 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.72 158.57 32.92 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-O 123.751 1.739 . . . . 0.0 112.449 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.41 31.34 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 112.512 -2.131 . . . . 0.0 108.566 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.658 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.6 136.0 48.88 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 173.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.0 -6.84 48.14 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.656 -1.277 . . . . 0.0 110.704 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.658 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.45 12.93 31.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.591 -1.318 . . . . 0.0 109.361 -177.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.9 t -133.01 104.18 6.41 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.16 0.981 . . . . 0.0 110.153 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.29 -37.84 73.05 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.967 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -58.94 -51.42 70.13 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.603 -1.311 . . . . 0.0 113.02 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -69.99 -32.42 70.61 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 119.543 -1.973 . . . . 0.0 109.239 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.82 -33.72 75.81 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 118.926 -1.11 . . . . 0.0 109.982 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -67.7 -10.44 52.38 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.598 -0.688 . . . . 0.0 109.893 -177.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.6 p -89.76 -7.69 53.89 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 118.097 -1.441 . . . . 0.0 110.973 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.44 159.3 15.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.204 -0.935 . . . . 0.0 110.132 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.77 2.96 Favored Glycine 0 N--CA 1.484 1.881 0 N-CA-C 107.003 -2.439 . . . . 0.0 107.003 177.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.56 47.51 1.7 Allowed 'General case' 0 C--N 1.309 -1.154 0 O-C-N 120.657 -1.496 . . . . 0.0 107.421 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 57.9 p -81.56 172.45 13.45 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.174 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -60.61 140.91 57.22 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.294 -0.962 . . . . 0.0 109.889 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.45 -3.25 78.95 Favored Glycine 0 N--CA 1.501 3.028 0 C-N-CA 119.97 -1.109 . . . . 0.0 111.34 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.43 135.93 34.06 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.894 -1.356 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.53 123.7 48.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.19 160.11 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.325 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.634 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 91.3 m -108.95 128.44 54.94 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.536 -1.353 . . . . 0.0 107.587 175.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.9 121.47 60.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 176.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.404 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.27 50.72 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.592 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.17 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 118.498 -1.281 . . . . 0.0 109.784 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.87 6.46 Favored 'General case' 0 C--N 1.289 -2.037 0 C-N-CA 118.541 -1.264 . . . . 0.0 108.001 178.183 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.32 40.11 Favored Glycine 0 C--N 1.296 -1.679 0 C-N-CA 118.049 -2.025 . . . . 0.0 110.341 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.37 -40.57 82.62 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 114.369 -0.916 . . . . 0.0 112.186 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.1 36.8 3.55 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 115.902 -2.319 . . . . 0.0 108.59 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.54 65.86 Favored 'General case' 0 N--CA 1.521 3.105 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 -174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.46 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.6 27.8 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 119.63 -1.919 . . . . 0.0 111.016 -176.626 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.782 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.62 -40.6 97.32 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.48 77.68 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 117.412 -1.715 . . . . 0.0 110.01 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.84 -42.22 88.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 CA-C-O 122.231 1.015 . . . . 0.0 109.244 -178.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.8 -47.98 76.18 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-O 122.042 0.925 . . . . 0.0 108.751 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.782 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.73 -38.42 76.87 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.705 -178.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.544 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.59 -28.6 59.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.372 -1.455 . . . . 0.0 110.872 -174.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.52 71.46 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.2 63.29 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.34 -45.19 84.55 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 119.024 -1.071 . . . . 0.0 110.486 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.39 -37.38 85.54 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.886 -1.134 . . . . 0.0 111.529 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.81 61.7 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.055 -1.028 . . . . 0.0 110.323 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.33 45.84 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.479 -0.763 . . . . 0.0 111.325 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 125.54 12.5 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 124.331 2.015 . . . . 0.0 112.845 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.9 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.0 mt-10 . . . . . 0 C--N 1.277 -2.554 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.104 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -64.53 -47.47 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 0.0 110.265 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.97 -36.76 82.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.262 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.28 -42.28 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.405 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.85 -45.65 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.965 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.4 mtp -58.5 -42.36 87.47 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.31 -42.62 97.71 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.0 mt -63.12 -43.27 98.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 0.0 110.24 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.432 ' O ' ' OG ' ' A' ' 15' ' ' SER . 92.6 mt -63.1 -44.84 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.754 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.406 HG21 HD12 ' A' ' 13' ' ' ILE . 88.5 mt -63.06 -44.03 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.992 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -60.49 -45.89 92.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.848 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 12' ' ' ILE . 78.9 p -59.96 -43.97 94.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.943 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.54 -41.84 99.07 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.9 mm-40 -62.7 -43.27 99.22 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.64 80.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.824 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -61.06 -46.49 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.51 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.3 p -56.28 -43.29 78.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.04 -41.56 98.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.654 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.03 -48.14 79.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.11 -41.51 92.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.673 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.76 97.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.755 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.33 87.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.677 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.14 -44.89 96.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.474 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -55.35 -42.83 74.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -60.6 -41.47 94.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.781 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.68 94.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.727 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.61 -29.22 69.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.134 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -80.02 -4.34 52.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.02 12.56 76.55 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.01 80.05 3.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.75 0.31 . . . . 0.0 110.3 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -64.49 -34.84 79.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.645 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -47.73 81.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.051 0.453 . . . . 0.0 110.692 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.92 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.383 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.32 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.534 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.24 -43.62 98.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.629 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.39 99.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.32 -41.02 94.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.47 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.464 ' O ' ' OG ' ' A' ' 44' ' ' SER . 4.8 mmt -62.69 -41.07 98.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.56 -43.85 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.975 0.417 . . . . 0.0 110.531 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.77 -41.5 97.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.24 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.27 -45.74 93.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.566 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.92 -42.61 98.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.329 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.79 -43.08 99.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.223 0.535 . . . . 0.0 110.51 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.61 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.272 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.535 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 91.0 mt -65.57 -40.03 92.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.68 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -61.07 -41.98 97.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.252 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.47 -39.71 92.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.266 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.8 -43.46 83.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.51 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -64.26 -37.36 87.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.367 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.74 -43.1 99.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.304 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.16 -43.01 97.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.052 0.453 . . . . 0.0 110.001 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -61.16 -41.12 96.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.186 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.4 m -56.51 -44.5 80.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.953 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.7 -39.68 94.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.527 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.28 -30.7 71.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.719 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.87 -33.8 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.84 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.527 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.915 0.388 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.453 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 86.2 p -129.48 163.71 25.29 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.9 mt -57.51 -44.39 85.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.667 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.0 -46.95 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.551 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.453 ' H ' ' HG ' ' A' ' 71' ' ' SER . 91.9 mt -62.82 -40.89 98.8 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -178.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.19 -47.56 91.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.235 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -58.79 -47.1 85.93 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.302 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.19 96.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.5 HE22 ' CE1' ' B' ' 80' ' ' HIS . 58.8 tt0 -63.18 -41.64 99.24 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.106 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.6 tp -57.0 -47.02 81.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.34 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -66.84 -46.92 73.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.755 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.65 -45.29 93.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.83 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.0 -44.6 96.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.195 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.4 p -63.46 -46.55 85.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.12 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.75 -48.0 81.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.421 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -59.03 -48.88 80.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.512 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.4 -45.22 95.24 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.098 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.08 83.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.871 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.535 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 7.9 tmm_? -58.96 -45.05 91.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.134 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.12 -46.69 87.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.109 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.93 -42.68 94.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.126 0.488 . . . . 0.0 109.883 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.21 -42.07 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.23 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -57.86 -45.22 86.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.047 0.451 . . . . 0.0 109.854 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.32 -42.19 99.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.631 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.498 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.5 mt -59.98 -42.83 95.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.421 HG23 HD12 ' A' ' 95' ' ' ILE . 92.1 mt -61.33 -42.97 95.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.495 179.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.47 -38.85 85.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.7 mt -62.42 -40.76 97.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.875 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.498 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.8 m80 -59.42 -41.09 88.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -58.8 -40.47 84.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.183 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.9 -33.67 75.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.194 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.2 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 179.679 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.599 0.237 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -64.46 -47.35 79.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.414 . . . . 0.0 110.385 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -67.03 -36.8 82.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.211 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.24 -42.57 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.318 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.7 t -60.58 -45.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.88 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -58.94 -42.15 89.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.57 -42.65 97.31 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -63.0 -43.28 99.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.771 0.32 . . . . 0.0 110.312 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.439 ' O ' ' OG ' ' B' ' 15' ' ' SER . 92.6 mt -63.29 -44.93 99.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.661 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.78 -44.31 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.905 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -60.35 -45.86 91.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.799 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 12' ' ' ILE . 78.0 p -59.88 -44.29 94.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.06 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.34 -41.65 99.4 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.506 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.9 mm-40 -62.78 -43.41 98.86 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.7 -48.23 81.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.942 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -61.14 -46.51 90.24 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.2 p -56.52 -43.01 79.38 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.12 -41.76 98.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.693 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.23 78.86 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -60.16 -41.35 92.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.7 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.07 96.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.667 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.01 -44.04 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.627 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.21 -45.32 95.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.345 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -55.18 -42.73 73.57 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.51 -41.82 95.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.906 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.97 93.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.742 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.31 -29.62 69.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.071 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.91 -4.49 52.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.432 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.44 12.11 76.36 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -95.82 79.99 3.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.336 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -64.43 -34.93 79.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.28 80.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 110.798 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.28 80.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.39 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.38 -48.17 79.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.596 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.33 -43.62 98.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.51 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.29 99.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.7 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.37 -41.31 93.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.507 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.448 ' O ' ' OG ' ' B' ' 44' ' ' SER . 4.8 mmt -62.32 -41.4 98.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.629 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.45 -44.0 97.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.42 -41.59 98.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.28 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.3 p -61.36 -46.06 91.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -60.52 -42.57 96.73 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.316 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.85 -43.07 99.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.331 0.586 . . . . 0.0 110.646 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.28 98.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.151 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.536 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 90.2 mt -65.82 -40.25 91.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.736 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -61.03 -41.87 97.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.295 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.4 -40.04 92.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.17 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.19 85.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.482 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -64.37 -37.64 88.23 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.247 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.41 -43.43 98.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.351 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.86 -43.46 97.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.043 0.449 . . . . 0.0 109.972 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.52 -41.32 94.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.312 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.7 m -56.66 -44.26 81.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.926 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.85 -39.55 94.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.881 0.372 . . . . 0.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.3 -30.8 71.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.69 -33.83 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.8 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.521 -179.924 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.849 0.357 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' SER . . . . . 0.416 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 91.0 p -128.99 165.14 21.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.587 -178.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.74 -44.05 93.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.592 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 52.2 t -62.31 -46.26 96.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.545 -178.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . 0.416 ' H ' ' HG ' ' B' ' 71' ' ' SER . 92.1 mt -63.14 -40.36 97.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -178.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 59.7 t -60.44 -48.31 88.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.25 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.32 -46.86 85.38 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.325 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.87 96.42 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.87 0.367 . . . . 0.0 110.439 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.508 HE22 ' CE1' ' C' ' 80' ' ' HIS . 59.0 tt0 -63.45 -41.74 98.64 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.29 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 42.3 tp -56.97 -46.86 81.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.402 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.5 ' CE1' HE22 ' A' ' 78' ' ' GLN . 75.6 m80 -66.9 -47.07 72.93 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.751 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.74 -45.17 93.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -62.04 -44.6 96.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.268 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.6 p -63.2 -46.36 87.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.169 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -62.81 -48.34 79.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.2 ttp -58.81 -48.92 79.62 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.511 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.29 -45.64 93.63 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.168 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.36 81.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.874 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.536 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 8.0 tmm_? -58.55 -45.48 88.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.282 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.67 -46.44 89.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.169 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.35 -42.2 93.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.169 0.509 . . . . 0.0 110.065 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.79 -41.97 90.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.221 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.7 -45.71 85.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.068 0.461 . . . . 0.0 109.901 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.83 -42.23 98.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.534 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 15.0 mt -60.06 -42.83 95.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.32 -42.95 95.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.504 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.36 -39.1 86.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.32 -40.75 97.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.823 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.9 m80 -59.34 -41.28 88.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.54 -40.59 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.042 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.02 -33.47 75.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.188 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 50.0 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.398 179.558 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 98.0 mt . . . . . 0 CA--C 1.52 -0.195 0 CA-C-O 120.629 0.252 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.2 -47.79 78.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 110.332 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -66.71 -36.79 83.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.33 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.07 -42.42 95.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.296 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.93 -45.26 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.987 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.9 mtp -58.96 -42.1 89.07 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.5 97.43 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -63.25 -43.21 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.391 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.439 ' O ' ' OG ' ' C' ' 15' ' ' SER . 93.2 mt -63.34 -44.56 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.742 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.81 -44.49 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.011 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -60.42 -45.8 92.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.853 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' C' ' 12' ' ' ILE . 78.7 p -59.79 -44.0 94.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.195 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.59 -41.72 99.05 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . 0.502 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -62.89 -42.81 99.91 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.5 -48.04 83.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -61.51 -46.45 89.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.5 p -56.24 -43.42 78.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 74.3 mt -61.99 -41.52 98.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.685 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.14 79.36 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -60.16 -41.53 92.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.557 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.76 97.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.67 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -43.84 87.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.584 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.64 -44.82 96.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.425 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -55.7 -42.34 75.09 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.93 -41.46 96.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.88 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.74 94.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.833 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.64 -29.36 70.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.009 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -79.91 -4.58 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.447 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.33 12.87 75.01 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.28 79.93 3.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.73 0.3 . . . . 0.0 110.298 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -64.48 -34.93 79.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.556 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.24 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.091 0.472 . . . . 0.0 110.634 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.06 82.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.378 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.93 -48.12 80.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.53 -43.53 98.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.607 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.36 99.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.45 -41.27 93.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.46 ' O ' ' OG ' ' C' ' 44' ' ' SER . 4.8 mmt -62.3 -41.3 98.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.614 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.51 -44.06 97.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.479 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.22 -41.85 99.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.341 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.8 p -61.14 -46.07 92.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.5 -42.6 96.67 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.318 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.88 -42.95 99.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.298 0.571 . . . . 0.0 110.556 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.65 99.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.327 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.53 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 91.1 mt -65.67 -40.45 92.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . 0.4 ' C ' ' OD1' ' C' ' 49' ' ' ASN . 52.6 t-20 -60.86 -42.11 97.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.97 -40.31 94.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.03 0.443 . . . . 0.0 110.06 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.77 84.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.456 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -63.96 -37.45 87.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.28 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.76 -43.14 99.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.329 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.83 -43.47 97.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 0.0 109.981 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -60.75 -41.12 94.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.326 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 78.1 m -56.6 -44.29 80.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.104 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.89 -39.4 94.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.502 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.41 -30.54 71.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.755 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 -179.638 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 71' ' ' SER . . . . . 0.427 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 92.8 p . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.987 0.422 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.71 -43.1 99.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.658 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 49.7 t -63.6 -46.41 94.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 130.069 3.348 . . . . 0.0 110.597 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' C' ' 71' ' ' SER . 93.4 mt -65.47 -40.06 92.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.077 0.465 . . . . 0.0 110.977 177.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.58 -48.47 88.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.239 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.67 -47.0 85.97 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.34 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.29 -42.93 96.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.835 0.35 . . . . 0.0 110.362 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.47 -41.09 98.6 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.266 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 42.4 tp -57.69 -46.76 83.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.513 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . 0.508 ' CE1' HE22 ' B' ' 78' ' ' GLN . 75.5 m80 -66.93 -47.0 73.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.84 -45.25 93.47 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.85 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.83 -44.4 96.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.432 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.5 p -63.6 -46.56 85.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.208 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 79.3 p -62.61 -48.0 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.588 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -58.86 -49.23 78.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.479 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.27 -45.23 95.36 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.155 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.71 -48.15 82.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.975 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . 0.53 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 8.0 tmm_? -58.71 -45.48 89.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.221 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.46 -46.61 89.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.201 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.34 -42.34 93.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.155 0.502 . . . . 0.0 110.013 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 67.8 mt -60.44 -42.13 89.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.378 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.6 m -57.71 -45.55 85.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.081 0.467 . . . . 0.0 110.028 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.99 -42.26 98.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.472 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.533 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.8 mt -59.97 -42.87 95.07 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.422 HD12 HG23 ' C' ' 95' ' ' ILE . 92.8 mt -61.28 -42.85 95.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.545 179.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -60.3 -39.23 86.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.717 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.06 -40.79 96.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.926 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 72.1 m80 -59.5 -41.31 89.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.695 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.72 -40.13 82.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.027 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.3 -33.33 75.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.173 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 48.7 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.236 179.649 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.514 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 121.852 0.834 . . . . 0.0 109.03 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.75 142.97 36.75 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.96 156.31 38.64 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.046 -1.034 . . . . 0.0 109.643 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.21 28.5 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.27 152.32 18.99 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.076 -1.015 . . . . 0.0 108.332 178.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.56 37.08 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.113 0.958 . . . . 0.0 110.138 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.86 114.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.84 -4.34 19.37 Favored 'General case' 0 C--N 1.264 -3.116 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.897 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.84 85.83 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 119.65 -1.906 . . . . 0.0 110.628 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -45.58 -47.59 13.18 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 124.783 3.656 . . . . 0.0 114.121 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . 0.55 HD22 ' CE ' ' C' ' 85' ' ' MET . 98.6 m-20 -102.12 27.45 6.63 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 116.178 -2.209 . . . . 0.0 108.787 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.39 -142.53 46.81 Favored Glycine 0 N--CA 1.497 2.722 0 C-N-CA 117.671 -2.204 . . . . 0.0 109.591 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.9 tp -88.77 75.84 8.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.952 -1.323 . . . . 0.0 109.495 -177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.571 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.8 p80 -69.8 176.31 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 117.861 -1.536 . . . . 0.0 112.133 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.543 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.4 p -39.47 -67.19 0.23 Allowed 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 117.196 2.295 . . . . 0.0 117.196 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.543 ' N ' ' OG1' ' D' ' 316' ' ' THR . 7.8 tmm_? -57.24 -51.61 80.43 Favored Pre-proline 0 N--CA 1.493 1.692 0 C-N-CA 120.176 -0.61 . . . . 0.0 112.494 -177.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.9 Cg_endo -64.27 -32.19 62.3 Favored 'Trans proline' 0 C--N 1.317 -1.104 0 C-N-CA 120.568 0.845 . . . . 0.0 111.477 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.83 86.67 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.252 -0.905 . . . . 0.0 109.489 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.87 -39.79 72.68 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.89 -39.44 94.19 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 117.987 -1.485 . . . . 0.0 109.533 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.546 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.31 93.36 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.526 1.155 . . . . 0.0 108.643 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.7 -42.25 95.4 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.319 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.611 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . 0.492 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 97.1 mttt -63.88 -40.25 96.1 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.174 -0.954 . . . . 0.0 109.8 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.457 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.79 80.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.424 -0.798 . . . . 0.0 109.555 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.0 -44.0 91.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.559 -1.338 . . . . 0.0 109.454 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.27 -16.22 43.27 Favored 'General case' 0 N--CA 1.511 2.576 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.67 86.01 Favored Glycine 0 N--CA 1.479 1.502 0 O-C-N 119.838 -1.789 . . . . 0.0 109.299 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -103.44 143.37 32.79 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.224 -1.751 . . . . 0.0 109.979 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.61 -30.11 59.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.278 -0.889 . . . . 0.0 112.302 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.83 158.51 10.42 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.716 -1.865 . . . . 0.0 112.827 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.581 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.81 130.22 35.47 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 102.84 -3.022 . . . . 0.0 102.84 171.251 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.71 136.59 60.38 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-O 122.23 1.014 . . . . 0.0 109.313 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.412 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.7 m -124.9 143.13 51.01 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-O 123.065 1.412 . . . . 0.0 110.024 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.412 ' N ' HG23 ' D' ' 334' ' ' THR . 87.1 t -108.03 129.91 61.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.717 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 173.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.408 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.48 119.58 26.4 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.731 -1.231 . . . . 0.0 108.972 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.54 122.59 39.26 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.495 -0.753 . . . . 0.0 109.918 177.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.71 39.0 24.38 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.888 -1.133 . . . . 0.0 112.823 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.62 11.03 83.57 Favored Glycine 0 N--CA 1.502 3.085 0 O-C-N 119.942 -1.724 . . . . 0.0 112.492 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.9 136.21 54.59 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.69 158.53 32.98 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-O 123.738 1.732 . . . . 0.0 112.468 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.69 151.4 31.4 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 112.579 -2.101 . . . . 0.0 108.634 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.666 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 7.9 t -70.61 136.0 48.85 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.01 -6.81 47.94 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.685 -1.259 . . . . 0.0 110.668 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.666 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.49 12.97 31.53 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.665 -1.272 . . . . 0.0 109.381 -177.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 98.8 p -133.1 104.19 6.39 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 122.253 1.025 . . . . 0.0 110.183 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.9 tp -57.29 -37.86 73.08 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.934 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -58.85 -51.36 70.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.56 -1.337 . . . . 0.0 113.117 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.02 -32.5 70.69 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 119.625 -1.922 . . . . 0.0 109.232 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.68 -33.8 75.8 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.974 -177.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.408 HE21 HG23 ' C' ' 59' ' ' ILE . 67.0 tp60 -67.65 -10.47 52.54 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.641 -0.662 . . . . 0.0 109.929 -177.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.1 p -89.8 -7.69 53.79 Favored 'General case' 0 N--CA 1.502 2.157 0 C-N-CA 118.091 -1.444 . . . . 0.0 110.94 -178.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.36 159.3 15.32 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.227 -0.921 . . . . 0.0 110.159 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.85 2.97 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 106.9 -2.48 . . . . 0.0 106.9 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.4 mt -119.62 47.37 1.73 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.708 -1.466 . . . . 0.0 107.425 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 2.7 p -81.37 172.56 13.41 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.226 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -60.75 140.91 57.4 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.28 -0.968 . . . . 0.0 109.9 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.04 78.91 Favored Glycine 0 N--CA 1.501 2.995 0 C-N-CA 120.069 -1.063 . . . . 0.0 111.338 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.5 135.92 34.03 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.881 -1.364 . . . . 0.0 110.581 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.4 t -96.5 123.78 48.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.23 160.0 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.277 0 C-N-CA 117.422 -1.711 . . . . 0.0 110.693 178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 362' ' ' THR . . . . . 0.408 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.87 128.38 54.86 Favored 'General case' 0 C--O 1.214 -0.816 0 O-C-N 120.55 -1.344 . . . . 0.0 107.594 175.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.89 121.42 60.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.24 50.71 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 -179.569 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.4 47.19 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 118.557 -1.257 . . . . 0.0 109.82 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.73 6.4 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 118.577 -1.249 . . . . 0.0 108.051 178.219 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.27 40.15 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 118.018 -2.039 . . . . 0.0 110.357 178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.37 -40.58 82.69 Favored 'General case' 0 C--N 1.276 -2.63 0 CA-C-N 114.399 -0.901 . . . . 0.0 112.262 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -114.03 36.78 3.54 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 115.853 -2.339 . . . . 0.0 108.612 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.51 65.82 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.492 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.9 -45.63 27.32 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 119.567 -1.958 . . . . 0.0 110.966 -176.586 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.773 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.54 -40.68 97.64 Favored 'General case' 0 C--N 1.283 -2.295 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.46 77.79 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 117.449 -1.7 . . . . 0.0 110.038 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.4 t -66.89 -42.24 88.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.242 1.02 . . . . 0.0 109.237 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.88 -47.91 76.54 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 121.992 0.901 . . . . 0.0 108.701 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.773 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.76 -38.29 76.71 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.769 -178.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.4 mt -75.6 -28.62 58.95 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.346 -1.471 . . . . 0.0 110.865 -174.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.45 70.58 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.394 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.19 63.43 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.457 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.3 -45.22 84.37 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.029 -1.069 . . . . 0.0 110.501 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.37 -37.39 85.53 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.933 -1.104 . . . . 0.0 111.472 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.84 61.7 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.124 -0.985 . . . . 0.0 110.254 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.9 -32.2 45.65 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.521 -0.737 . . . . 0.0 111.362 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.15 125.51 12.48 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.354 2.026 . . . . 0.0 112.852 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.897 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.0 mm-40 . . . . . 0 C--N 1.277 -2.553 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.13 -177.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -65.07 -47.22 78.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.882 0.372 . . . . 0.0 110.268 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -67.54 -36.8 81.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.2 t -64.07 -42.01 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.422 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.39 -44.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.929 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.9 mtp -59.49 -41.08 89.01 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.32 -41.69 98.07 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.16 -43.05 99.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.879 0.371 . . . . 0.0 110.247 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.5 ' CG2' ' HG1' ' D' ' 316' ' ' THR . 94.3 mt -63.17 -43.99 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.492 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 86.8 mt -63.48 -44.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.944 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -61.43 -45.68 93.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.722 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -60.38 -43.8 96.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.018 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.37 -42.17 97.8 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.502 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.7 mm-40 -64.17 -42.81 96.56 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.69 -48.88 79.6 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -61.18 -47.39 86.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.8 p -54.32 -44.78 72.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.02 -42.66 99.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.706 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.25 74.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.34 -42.35 91.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.564 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.11 93.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.738 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.47 -42.54 87.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.618 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.34 -45.18 95.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.459 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.712 ' HZ2' HE21 ' A' ' 31' ' ' GLN . 66.1 tttm -55.91 -42.21 75.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.65 -41.69 95.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.774 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.72 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.715 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.15 -29.24 69.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.124 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.712 HE21 ' HZ2' ' A' ' 27' ' ' LYS . 88.3 mt-30 -79.52 -4.51 51.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.389 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 12.51 76.39 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -96.04 79.79 3.25 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.73 0.3 . . . . 0.0 110.299 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -64.25 -35.0 79.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.711 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.82 -48.53 78.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.068 0.461 . . . . 0.0 110.69 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.21 -35.06 79.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.321 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.39 -48.02 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.515 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -42.27 98.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.347 . . . . 0.0 110.651 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.3 -42.34 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.77 -40.66 92.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.5 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.439 ' SD ' ' CD1' ' A' ' 95' ' ' ILE . 92.5 mmm -63.32 -41.12 98.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.645 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.84 -43.97 97.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.581 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.68 -40.91 97.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.205 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -61.25 -46.56 89.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.53 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -60.37 -42.05 95.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.265 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtt -61.78 -42.1 98.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.238 0.542 . . . . 0.0 110.624 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.56 98.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.16 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 99.4 mt -65.22 -39.92 93.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.647 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.04 -41.6 96.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.839 0.352 . . . . 0.0 110.312 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -64.9 -40.63 95.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.157 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.61 82.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.429 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.27 -38.22 88.5 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.394 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.6 -42.78 99.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.343 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.57 -43.72 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.043 0.449 . . . . 0.0 110.018 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -60.33 -42.13 94.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.4 m -56.89 -43.34 81.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.119 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -62.99 -39.38 94.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.572 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.74 -29.75 70.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.641 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.9 -31.65 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.465 -179.903 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.461 0.091 0 CA-C-O 120.89 0.376 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.5 p -131.85 165.54 23.61 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.21 -43.39 82.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.599 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.74 -45.55 98.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.887 0.375 . . . . 0.0 110.544 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.88 -39.9 93.55 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-O 121.081 0.467 . . . . 0.0 110.981 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.34 -47.51 90.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.189 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -58.44 -45.81 87.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.776 0.322 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.21 -41.66 99.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.756 0.312 . . . . 0.0 110.694 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.69 -39.88 95.42 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.195 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.5 tp -56.74 -47.77 79.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.367 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -66.58 -46.33 76.34 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.739 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.16 -45.7 92.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.805 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.53 -44.13 97.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.221 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.9 p -62.98 -46.9 85.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.4 t -62.95 -47.47 83.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.418 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 31.7 ttm -58.86 -48.22 82.15 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.566 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.545 ' CD1' HH12 ' B' ' 19' ' ' ARG . 54.8 tp -60.97 -44.98 96.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.103 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.13 90.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.855 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.479 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 7.8 tmm_? -61.66 -45.66 93.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.064 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.485 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.0 mt-10 -60.63 -48.29 82.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.15 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.13 -40.82 97.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.102 0.477 . . . . 0.0 109.81 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.0 mt -60.18 -41.76 87.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.299 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.6 m -57.47 -45.81 84.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.043 0.449 . . . . 0.0 109.863 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.95 -42.27 99.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.516 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.27 -43.07 96.5 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.439 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 88.2 mt -60.9 -43.2 95.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.473 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -59.3 -38.89 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.098 0.475 . . . . 0.0 109.788 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.44 -41.12 98.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.869 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -59.3 -41.06 88.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -59.44 -41.5 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.18 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.79 -34.13 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.25 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.6 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.397 179.717 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.642 0.258 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.17 -47.42 77.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.303 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -67.42 -36.69 81.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.16 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 83.3 t -64.14 -42.0 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.362 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.58 -44.27 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.846 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.74 -40.9 89.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.59 -41.75 97.69 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.18 -42.64 99.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.828 0.346 . . . . 0.0 110.415 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.73 -43.89 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.694 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.42 -44.21 98.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.918 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -61.43 -45.65 93.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.893 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -60.18 -44.01 95.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.101 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.24 97.89 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.508 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.6 mm-40 -63.99 -42.79 97.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.88 -48.52 81.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.906 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.545 HH12 ' CD1' ' A' ' 86' ' ' LEU . 63.2 ttm-85 -61.29 -47.32 86.5 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.508 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 79.3 p -54.26 -45.09 72.33 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.69 -42.7 99.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.713 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.1 -50.09 75.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.485 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.1 m-85 -59.41 -42.14 91.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.704 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.43 94.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.704 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.52 86.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.611 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.39 -45.32 94.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.305 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.712 ' HZ2' HE21 ' B' ' 31' ' ' GLN . 65.8 tttm -55.92 -42.03 75.46 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.99 -41.45 96.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.876 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.52 94.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.598 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.31 -29.35 69.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.062 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.712 HE21 ' HZ2' ' B' ' 27' ' ' LYS . 88.2 mt-30 -79.56 -4.29 50.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.337 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.79 12.72 76.84 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -96.07 79.62 3.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.858 0.361 . . . . 0.0 110.31 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -64.27 -34.86 79.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.604 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.66 78.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 110.822 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.19 -34.9 79.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.44 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.51 -48.01 79.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.548 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.63 -42.69 99.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.849 0.357 . . . . 0.0 110.606 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.49 99.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.693 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.76 -40.34 91.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.436 ' SD ' ' CD1' ' B' ' 95' ' ' ILE . 92.4 mmm -63.65 -41.04 98.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.17 -43.6 98.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.415 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.79 -41.11 97.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.33 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.08 -46.78 89.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.433 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -60.11 -42.23 94.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.288 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 60.7 mtt -61.36 -42.65 99.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.307 0.575 . . . . 0.0 110.672 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.5 99.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.155 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.491 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 98.2 mt -65.27 -39.94 93.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.735 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.88 -41.7 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.369 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.88 -40.7 95.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.156 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.9 82.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.455 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.94 -38.68 89.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.313 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.96 -43.22 99.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.319 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.27 -44.15 97.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.036 0.446 . . . . 0.0 109.99 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -60.07 -42.15 93.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.21 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -56.89 -43.59 81.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.919 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -62.86 -39.36 94.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.934 0.397 . . . . 0.0 110.615 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.64 -29.47 70.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.706 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.23 -31.59 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.796 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.522 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.887 0.375 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 88.1 p -130.51 167.12 19.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.476 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tt -59.76 -42.97 94.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.536 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.25 -44.94 99.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.608 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.23 -39.12 91.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.123 0.487 . . . . 0.0 110.935 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.04 -47.43 91.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.256 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.6 -45.51 88.98 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.79 98.78 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.929 0.395 . . . . 0.0 110.426 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.5 -39.72 95.17 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.242 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 29.4 tp -56.99 -47.4 80.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.433 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -67.02 -46.34 74.78 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.701 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.84 -45.91 91.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.817 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.43 -43.98 97.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.247 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.3 p -63.14 -47.16 83.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.136 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 37.5 t -62.45 -47.44 84.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 32.0 ttm -58.91 -48.78 80.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.431 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.525 ' CD1' HH12 ' C' ' 19' ' ' ARG . 54.6 tp -60.6 -45.08 95.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.141 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.62 88.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.867 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.491 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 7.8 tmm_? -60.96 -46.08 92.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.291 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.476 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.9 mt-10 -60.33 -48.35 82.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.15 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.94 -40.94 97.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.08 0.467 . . . . 0.0 110.02 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 32.6 mt -60.2 -41.89 88.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 18.1 m -57.39 -45.58 84.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.012 0.435 . . . . 0.0 109.829 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.16 -42.01 99.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.491 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.43 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 83.2 mt -60.45 -42.92 97.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.436 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 89.3 mt -61.08 -42.89 94.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.546 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -59.58 -39.08 82.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.708 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.35 -41.34 98.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.836 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.0 m80 -58.9 -41.28 86.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.802 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -59.48 -41.26 89.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.111 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.95 -34.0 76.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 37.8 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.366 179.647 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.594 0.235 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.87 -47.34 78.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 0.0 110.404 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -67.42 -36.87 82.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.352 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 83.8 t -64.06 -42.07 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.378 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.32 -44.66 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.975 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.6 mtp -59.35 -41.11 88.47 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.2 -41.86 98.16 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.9 -43.19 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 110.424 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.18 -43.88 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.742 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.57 -44.15 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.101 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -61.34 -45.72 93.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.752 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -60.27 -44.04 95.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.168 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.24 -42.29 97.95 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . 0.493 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.2 mm-40 -63.85 -42.5 97.56 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.06 79.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.525 HH12 ' CD1' ' B' ' 86' ' ' LEU . 63.3 ttm-85 -60.83 -47.54 85.91 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.7 p -54.27 -44.83 72.18 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.76 -42.78 99.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.739 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.88 -50.44 73.99 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.476 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.1 m-85 -59.0 -42.76 90.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.556 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.21 92.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.755 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.77 87.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.601 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.28 -45.27 95.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.442 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . 0.727 ' HZ2' HE21 ' C' ' 31' ' ' GLN . 66.1 tttm -55.78 -42.25 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.91 -41.65 96.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.92 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.09 93.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.814 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.78 -29.24 70.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.065 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.727 HE21 ' HZ2' ' C' ' 27' ' ' LYS . 88.1 mt-30 -79.29 -4.43 50.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.21 12.18 76.82 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -95.89 80.37 3.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.754 0.312 . . . . 0.0 110.208 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -64.75 -35.12 80.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.526 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.38 79.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.046 0.451 . . . . 0.0 110.67 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -34.99 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.342 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.58 81.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.487 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.04 -42.96 99.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.61 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.6 99.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.759 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.67 -40.67 92.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.437 ' SD ' ' CD1' ' C' ' 95' ' ' ILE . 92.4 mmm -63.41 -41.44 98.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.584 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.85 -43.99 97.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.417 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.14 -41.2 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.318 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -61.18 -46.64 89.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.501 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.23 -42.33 94.98 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.334 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.9 mtt -61.18 -42.95 99.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.304 0.573 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.72 99.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.315 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . 0.483 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 97.3 mt -65.19 -39.53 92.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.782 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.68 -40.94 96.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.397 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.55 -40.52 92.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.014 0.435 . . . . 0.0 110.068 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.4 -44.73 82.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.51 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.06 -38.24 88.03 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.39 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.51 -43.12 99.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.321 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.22 -43.81 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.019 0.438 . . . . 0.0 109.982 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.34 -42.11 95.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.228 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 16.8 m -56.88 -43.21 81.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.123 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -63.2 -39.44 94.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.53 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.45 -29.67 70.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.754 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.408 HG23 HE21 ' D' ' 351' ' ' GLN . 96.8 mt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.819 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 121.052 0.453 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.27 -43.72 95.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.731 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.59 -45.63 98.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 130.042 3.337 . . . . 0.0 110.602 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.94 -39.03 93.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.999 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.1 -47.86 90.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.169 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.64 -45.6 88.93 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.352 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.78 98.56 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.871 0.367 . . . . 0.0 110.398 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.59 -39.74 95.16 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.32 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 29.1 tp -56.76 -47.85 79.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.45 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -66.62 -46.36 76.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.668 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.19 -45.47 93.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.8 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.68 -43.93 97.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.359 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.8 p -63.09 -46.94 85.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.195 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 36.1 t -62.78 -47.43 83.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 85' ' ' MET . . . . . 0.55 ' CE ' HD22 ' D' ' 312' ' ' ASN . 31.7 ttm -59.02 -48.59 81.03 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.475 -179.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.71 -44.91 96.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.398 . . . . 0.0 110.195 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.48 88.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.981 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . 0.483 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 8.0 tmm_? -61.18 -46.2 91.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.211 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.13 -48.32 82.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.208 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.09 -41.14 97.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.183 0.516 . . . . 0.0 110.017 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 33.1 mt -59.9 -41.9 87.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.367 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -57.3 -45.44 84.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.129 0.49 . . . . 0.0 109.993 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.37 -42.01 98.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.456 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.458 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 84.1 mt -60.34 -42.86 96.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . 0.437 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 88.5 mt -61.16 -43.08 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.513 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.2 -39.11 81.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.129 0.49 . . . . 0.0 109.781 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.44 -41.24 98.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.831 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.458 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.1 m80 -59.09 -41.2 87.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.77 -40.87 89.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.081 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.09 -33.95 76.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.167 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 37.0 mt . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.323 179.812 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' D' D ' 301' ' ' MET . . . . . 0.51 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.82 0.819 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.88 142.98 36.48 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.523 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 303' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.36 38.7 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.968 -1.083 . . . . 0.0 109.535 179.196 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 304' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.21 28.54 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.572 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.36 18.94 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.101 -1.0 . . . . 0.0 108.425 178.306 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.87 144.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.58 136.61 36.86 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.007 0.908 . . . . 0.0 110.178 177.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -85.0 114.34 25.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 105.326 -2.101 . . . . 0.0 105.326 177.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.88 -4.29 19.35 Favored 'General case' 0 C--N 1.265 -3.075 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 310' ' ' ALA . . . . . 0.909 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.58 141.84 85.66 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 119.686 -1.884 . . . . 0.0 110.564 178.76 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.43 -47.76 12.62 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 124.731 3.62 . . . . 0.0 114.115 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -102.12 27.53 6.57 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 116.125 -2.23 . . . . 0.0 108.746 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.02 -143.36 47.23 Favored Glycine 0 N--CA 1.497 2.758 0 C-N-CA 117.62 -2.229 . . . . 0.0 109.576 -179.088 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.6 tp -88.46 73.3 8.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.942 -1.328 . . . . 0.0 109.493 -177.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 315' ' ' HIS . . . . . 0.599 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.4 p80 -65.73 176.67 1.47 Allowed 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 117.856 -1.538 . . . . 0.0 112.183 -178.524 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 316' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.5 p -41.26 -66.85 0.29 Allowed 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 -176.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 317' ' ' ARG . . . . . 0.53 ' N ' ' OG1' ' D' ' 316' ' ' THR . 1.7 tmt_? -56.32 -51.27 82.27 Favored Pre-proline 0 N--CA 1.493 1.684 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.525 -177.521 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 318' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.7 Cg_endo -64.42 -32.23 60.6 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 CA-C-N 119.3 0.786 . . . . 0.0 111.426 -178.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.78 86.66 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.284 -0.885 . . . . 0.0 109.529 -179.364 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -71.02 -39.71 72.21 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -63.94 -39.42 94.1 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.042 -1.463 . . . . 0.0 109.492 177.118 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 322' ' ' PHE . . . . . 0.55 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.71 -45.3 93.41 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.614 1.197 . . . . 0.0 108.672 -177.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.69 -42.23 95.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.618 -179.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.87 -40.27 96.15 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.731 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 325' ' ' GLU . . . . . 0.459 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.81 -39.74 79.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 109.565 178.02 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.99 91.62 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.657 -1.277 . . . . 0.0 109.439 178.558 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.42 -16.13 43.71 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.53 86.14 Favored Glycine 0 N--CA 1.479 1.553 0 O-C-N 119.931 -1.731 . . . . 0.0 109.347 179.083 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.408 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.35 32.83 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.338 -1.684 . . . . 0.0 109.98 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.1 p -75.61 -30.13 59.46 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.313 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.66 158.53 9.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 119.817 -1.802 . . . . 0.0 112.841 -179.227 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.24 35.39 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 102.792 -3.04 . . . . 0.0 102.792 171.242 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.72 136.56 60.45 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.41 0 CA-C-O 122.163 0.982 . . . . 0.0 109.351 -178.347 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 334' ' ' THR . . . . . 0.407 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.5 m -124.93 143.16 51.01 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-O 123.121 1.439 . . . . 0.0 110.033 178.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 335' ' ' VAL . . . . . 0.407 ' N ' HG23 ' D' ' 334' ' ' THR . 87.1 t -108.05 129.97 61.34 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.737 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 173.071 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 336' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 70.7 m -127.47 119.53 26.31 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.87 -1.144 . . . . 0.0 108.909 -178.369 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.6 122.62 39.29 Favored 'General case' 0 N--CA 1.5 2.072 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.884 177.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 38.9 24.14 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.851 -1.155 . . . . 0.0 112.792 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.71 11.03 83.47 Favored Glycine 0 N--CA 1.501 3.013 0 O-C-N 119.944 -1.722 . . . . 0.0 112.491 177.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.9 136.26 54.57 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 177.522 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.74 158.54 33.02 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-O 123.751 1.739 . . . . 0.0 112.416 -175.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.36 31.31 Favored 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 112.513 -2.13 . . . . 0.0 108.579 177.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 343' ' ' SER . . . . . 0.665 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.58 135.91 48.84 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.519 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.92 -6.74 47.21 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.737 -1.227 . . . . 0.0 110.739 179.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 345' ' ' LYS . . . . . 0.665 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.56 12.96 31.69 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.605 -1.309 . . . . 0.0 109.32 -177.806 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.8 p -133.05 104.17 6.4 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 122.199 1.0 . . . . 0.0 110.146 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.2 -38.0 73.02 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.891 178.275 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.87 -51.32 70.52 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.637 -1.29 . . . . 0.0 113.07 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.39 70.38 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 119.537 -1.977 . . . . 0.0 109.2 -178.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.79 75.88 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.921 -177.515 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 351' ' ' GLN . . . . . 0.402 HE21 HG22 ' C' ' 59' ' ' ILE . 67.0 tp60 -67.65 -10.5 52.74 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.67 -0.644 . . . . 0.0 109.92 -177.537 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.3 p -89.71 -7.77 53.82 Favored 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 118.117 -1.433 . . . . 0.0 110.917 -178.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.1 mt -93.37 159.28 15.33 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.221 -0.924 . . . . 0.0 110.163 -178.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.91 2.97 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 106.846 -2.501 . . . . 0.0 106.846 177.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.1 mt -119.68 47.47 1.71 Allowed 'General case' 0 C--N 1.308 -1.2 0 O-C-N 120.694 -1.474 . . . . 0.0 107.403 -178.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 61.9 p -81.5 172.52 13.4 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.836 -1.145 . . . . 0.0 109.155 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.71 140.91 57.35 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.901 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.47 -3.25 78.87 Favored Glycine 0 N--CA 1.501 2.986 0 C-N-CA 119.968 -1.111 . . . . 0.0 111.325 177.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.45 136.01 34.02 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.842 -1.387 . . . . 0.0 110.58 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 91.2 t -96.65 123.77 49.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 176.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.14 160.11 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.317 0 C-N-CA 117.424 -1.71 . . . . 0.0 110.635 178.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 91.8 m -108.95 128.41 54.91 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.497 -1.377 . . . . 0.0 107.552 175.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.9 121.43 60.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 176.354 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 364' ' ' SER . . . . . 0.407 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.66 147.25 50.73 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 -179.523 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.78 153.45 47.14 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 118.5 -1.28 . . . . 0.0 109.684 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 366' ' ' GLU . . . . . 0.51 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.72 6.4 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 118.538 -1.265 . . . . 0.0 108.071 178.187 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.29 -170.29 40.17 Favored Glycine 0 C--N 1.296 -1.677 0 C-N-CA 117.971 -2.062 . . . . 0.0 110.345 178.647 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.39 -40.63 82.89 Favored 'General case' 0 C--N 1.275 -2.658 0 CA-C-N 114.445 -0.878 . . . . 0.0 112.163 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.06 36.8 3.54 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 115.906 -2.318 . . . . 0.0 108.621 -178.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.49 65.78 Favored 'General case' 0 N--CA 1.521 3.114 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -174.049 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 371' ' ' GLN . . . . . 0.471 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.9 -45.77 26.82 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.597 -1.939 . . . . 0.0 110.919 -176.526 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' D' D ' 372' ' ' LYS . . . . . 0.774 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.64 97.59 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.264 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.47 77.74 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 117.481 -1.688 . . . . 0.0 110.057 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.93 -42.16 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-O 122.176 0.988 . . . . 0.0 109.277 -178.137 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.84 -47.87 76.5 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-O 122.085 0.945 . . . . 0.0 108.82 -178.352 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 376' ' ' HIS . . . . . 0.774 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.83 -38.28 76.49 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.699 -178.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 377' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.7 -28.54 58.65 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.42 -1.425 . . . . 0.0 110.846 -174.23 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.51 -39.51 70.71 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.428 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.28 62.92 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 380' ' ' LEU . . . . . 0.459 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.26 -45.14 84.28 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.565 177.575 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.4 -37.39 85.59 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.941 -1.099 . . . . 0.0 111.468 -177.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.06 -1.025 . . . . 0.0 110.285 -178.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.87 -32.3 45.9 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.548 -0.72 . . . . 0.0 111.387 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.03 125.52 12.3 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 124.292 1.996 . . . . 0.0 112.911 178.618 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 385' ' ' GLU . . . . . 0.909 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 47.6 mt-10 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.126 -2.761 . . . . 0.0 110.097 -177.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.23 -46.7 79.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.915 0.388 . . . . 0.0 110.309 179.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.46 -35.03 77.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.257 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.56 -42.87 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.384 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.81 -43.84 96.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.977 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.2 mtp -59.33 -41.03 88.18 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.2 -42.12 96.53 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 mt -63.31 -42.34 99.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.15 179.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.34 -44.08 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.704 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.7 mt -63.2 -44.09 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.988 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.33 -45.52 94.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.82 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 t -60.64 -44.01 96.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.002 179.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.21 -43.03 97.66 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.73 -45.13 94.14 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.43 79.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.859 179.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.643 ' NH2' ' CZ ' ' A' ' 23' ' ' TYR . 77.4 ttt-85 -60.29 -47.27 86.72 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.589 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -54.78 -43.81 73.15 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.34 -43.2 98.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.687 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.38 -50.2 74.88 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.643 ' CZ ' ' NH2' ' A' ' 19' ' ' ARG . 8.0 m-85 -59.51 -42.44 92.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.532 179.508 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.19 93.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.785 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -42.73 83.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.68 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.39 -44.75 96.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.451 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -56.11 -42.17 76.39 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.09 -41.49 96.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.743 179.161 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.65 94.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.698 179.263 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.07 -29.54 69.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.145 179.067 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -80.51 -4.72 54.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.499 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.9 14.18 73.16 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.61 79.73 2.75 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 120.729 0.3 . . . . 0.0 110.331 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -65.23 -34.72 79.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.66 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.36 -49.42 73.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.083 0.468 . . . . 0.0 110.747 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.67 81.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.381 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.85 -48.5 78.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -60.09 -42.98 95.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.632 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.19 94.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.78 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -64.94 -41.53 95.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.493 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.528 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 98.5 mmm -63.13 -40.19 96.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.606 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -62.32 -43.99 97.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.024 0.44 . . . . 0.0 110.621 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.64 -40.45 96.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.206 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.62 ' HG ' ' HE ' ' A' ' 88' ' ' ARG . 78.7 p -61.74 -45.44 93.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.532 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.53 ' N ' ' HG ' ' A' ' 44' ' ' SER . 62.1 ttp180 -59.79 -42.94 94.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.247 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.0 ttp -60.38 -44.41 95.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.215 0.531 . . . . 0.0 110.593 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.96 99.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.25 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.31 -40.69 96.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.683 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 49' ' ' ASN . 51.1 t-20 -60.7 -41.69 95.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.302 -179.511 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.72 -40.3 95.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.071 0.463 . . . . 0.0 110.265 179.437 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.26 78.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.486 179.403 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.425 ' CE1' ' CG2' ' A' ' 56' ' ' THR . 59.9 t-80 -60.98 -39.0 87.97 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.437 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.493 ' O ' ' OG1' ' A' ' 56' ' ' THR . 40.2 mt -60.66 -44.3 96.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.9 t -65.08 -43.36 95.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.02 0.438 . . . . 0.0 110.066 178.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.721 HE21 ' NE2' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -58.87 -44.85 91.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.207 -179.882 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 53' ' ' LEU . 40.5 p -58.07 -39.54 78.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.983 -179.519 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -64.07 -40.48 96.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.4 . . . . 0.0 110.504 179.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.29 -29.92 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.638 -179.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.588 ' CG1' HE22 ' A' ' 55' ' ' GLN . 96.7 mt -78.29 -30.76 15.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.772 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 179.808 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 71' ' ' SER . 20.1 m . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' HG22 ' A' ' 70' ' ' VAL . 83.8 p -133.13 167.59 20.06 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 178.462 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 tp -56.73 -43.4 80.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.626 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.72 -44.96 99.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.532 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.46 -40.19 93.61 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.002 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.43 -47.03 92.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.172 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -58.11 -46.15 86.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.789 0.328 . . . . 0.0 110.301 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.37 98.86 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.817 0.341 . . . . 0.0 110.636 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.721 ' NE2' HE21 ' A' ' 55' ' ' GLN . 94.0 mm-40 -61.78 -39.62 92.31 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.139 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 42.5 tp -58.39 -46.63 86.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.364 -179.121 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -67.68 -48.45 66.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.689 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.24 -44.94 96.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.81 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.0 -42.63 99.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.228 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.1 p -64.82 -46.12 83.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.117 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.44 -49.56 74.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.56 -47.89 80.82 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.514 -179.282 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.89 -44.64 96.39 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.088 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.43 80.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.86 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.62 ' HE ' ' HG ' ' A' ' 44' ' ' SER . 67.6 ttt-85 -58.73 -45.18 90.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.141 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.579 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 97.4 mt-10 -60.91 -44.16 97.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.078 -179.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.41 -42.92 95.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.216 0.531 . . . . 0.0 109.851 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 74.0 mt -59.95 -42.18 88.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.29 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.528 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 18.1 m -57.1 -45.51 83.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.037 0.446 . . . . 0.0 109.949 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.3 -43.89 96.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.254 0.549 . . . . 0.0 109.569 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 85.5 mt -59.87 -43.71 94.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.89 -43.13 97.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.468 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -61.8 -39.6 92.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.749 179.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.5 mt -62.1 -41.52 98.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.84 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.6 m80 -59.25 -38.97 81.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.204 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -61.44 -39.81 92.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.168 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -63.5 -39.15 93.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.199 179.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.8 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.464 179.8 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 N--CA 1.456 -0.16 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.17 -46.72 79.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.929 0.395 . . . . 0.0 110.335 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -68.27 -35.04 77.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.245 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.7 -42.98 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.348 -179.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.9 t -60.81 -43.74 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.869 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.46 -41.12 88.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.39 96.88 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.2 mt -63.07 -42.36 99.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.347 . . . . 0.0 110.376 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.44 -44.01 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.676 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.27 -44.35 99.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.887 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.05 -45.61 94.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.887 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 35.8 t -60.61 -43.93 96.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.067 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.18 -42.98 97.75 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -62.79 -45.49 92.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.97 -48.71 77.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.892 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.643 ' NH2' ' CZ ' ' B' ' 23' ' ' TYR . 77.4 ttt-85 -60.0 -47.22 86.71 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -54.83 -43.98 73.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.14 -43.21 98.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.7 179.022 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.4 -50.15 75.06 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . 0.643 ' CZ ' ' NH2' ' B' ' 19' ' ' ARG . 8.0 m-85 -59.53 -42.51 92.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.686 179.402 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.05 93.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.753 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.98 83.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.658 179.036 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.14 -45.22 95.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.314 179.104 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -55.76 -42.22 75.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.95 -41.49 96.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.88 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.69 94.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.689 179.269 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.09 -29.54 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.089 179.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -80.67 -4.6 54.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.336 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.05 13.99 73.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.52 79.72 2.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 110.275 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -65.45 -34.76 79.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.596 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.78 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.0 0.428 . . . . 0.0 110.841 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.08 -35.57 80.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.416 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.18 79.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.576 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -60.23 -43.03 96.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.76 0.314 . . . . 0.0 110.58 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.47 95.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.669 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.3 mmm -64.86 -41.18 95.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' MET . . . . . 0.524 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.4 mmm -63.59 -39.84 95.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.532 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -62.76 -43.89 97.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.468 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.65 -40.47 96.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.353 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.616 ' HG ' ' HE ' ' B' ' 88' ' ' ARG . 78.4 p -61.69 -45.35 94.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.465 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.535 ' N ' ' HG ' ' B' ' 44' ' ' SER . 62.1 ttp180 -60.0 -42.85 95.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.22 -179.726 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 64.9 ttp -60.41 -44.29 95.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.251 0.548 . . . . 0.0 110.609 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.32 -42.35 99.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.198 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.99 -40.55 95.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.71 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 49' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 51.2 t-20 -60.41 -41.81 94.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.376 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.97 -40.21 94.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.156 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.79 -45.27 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.424 179.371 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 52' ' ' HIS . . . . . 0.432 ' CE1' ' CG2' ' B' ' 56' ' ' THR . 59.9 t-80 -60.99 -39.05 88.19 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 53' ' ' LEU . . . . . 0.493 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.5 mt -60.5 -44.19 96.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.387 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.46 -43.18 94.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.069 0.462 . . . . 0.0 110.037 178.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.71 HE21 ' NE2' ' B' ' 78' ' ' GLN . 0.0 OUTLIER -58.89 -44.95 91.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.275 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' B' ' 53' ' ' LEU . 40.7 p -58.0 -39.95 79.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.934 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -63.6 -40.75 97.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.979 0.419 . . . . 0.0 110.555 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.99 -29.96 71.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.703 -179.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . 0.576 ' CG1' HE22 ' B' ' 55' ' ' GLN . 96.7 mt -78.28 -30.73 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.822 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 120.839 0.352 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 89.3 p -132.39 168.56 17.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.594 -178.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.83 -43.1 90.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.551 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 66.8 t -61.93 -44.64 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.593 -178.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.62 -39.47 91.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.088 0.471 . . . . 0.0 110.957 -178.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 51.1 t -59.84 -47.1 92.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.258 -179.175 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.79 -45.42 89.88 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.362 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.34 98.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.953 0.406 . . . . 0.0 110.456 179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 78' ' ' GLN . . . . . 0.71 ' NE2' HE21 ' B' ' 55' ' ' GLN . 93.8 mm-40 -61.91 -39.57 92.46 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.181 179.527 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.34 -46.66 85.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.401 -179.221 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.8 -48.11 67.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.693 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.74 -44.8 96.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 -179.102 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.8 -43.11 99.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.253 -179.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.3 p -64.35 -46.33 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.149 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -62.17 -49.8 74.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.605 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -57.25 -47.84 80.36 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.438 -179.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.03 -44.64 96.27 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.11 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.79 78.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.926 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.616 ' HE ' ' HG ' ' B' ' 44' ' ' SER . 67.7 ttt-85 -58.54 -45.11 89.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.214 -179.564 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 97.9 mt-10 -60.99 -44.26 97.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.213 -179.763 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.26 -42.62 96.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.095 0.474 . . . . 0.0 110.073 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.26 -41.83 88.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.251 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.524 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 18.0 m -57.37 -45.55 84.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.115 0.483 . . . . 0.0 109.913 179.469 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.51 -43.59 96.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.462 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.569 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 85.9 mt -59.88 -43.77 94.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.97 -43.29 97.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.504 179.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -61.66 -39.9 92.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.671 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.89 -41.41 97.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.77 179.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.7 m80 -59.33 -39.09 82.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.263 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.18 -40.03 92.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.037 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -63.37 -38.97 93.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.231 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.331 179.709 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.594 0.235 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.17 -46.4 80.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.838 0.351 . . . . 0.0 110.362 179.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -68.67 -34.97 76.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.278 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 89.1 t -64.69 -42.77 95.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 89.7 t -60.85 -43.67 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.033 179.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mtp -59.63 -40.7 88.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.26 -42.59 96.16 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 179.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 mt -62.8 -42.55 99.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.368 179.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.06 -44.04 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.7 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 83.5 mt -63.29 -44.31 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.039 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.09 -45.45 94.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.82 179.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t -60.64 -44.13 96.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.179 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.75 -43.19 98.12 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -62.9 -45.02 94.48 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.5 -48.49 79.1 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . 0.637 ' NH2' ' CZ ' ' C' ' 23' ' ' TYR . 77.7 ttt-85 -60.21 -47.23 86.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.75 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -54.96 -43.93 73.9 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.18 -43.08 99.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.682 179.119 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.54 -50.16 74.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 23' ' ' TYR . . . . . 0.637 ' CZ ' ' NH2' ' C' ' 19' ' ' ARG . 8.0 m-85 -59.51 -42.62 92.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.519 179.485 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.71 92.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.731 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.99 -42.64 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.658 179.19 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.19 -45.14 95.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.426 178.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -55.92 -42.31 75.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.93 -41.47 96.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.924 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.55 93.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.819 179.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.57 -29.41 70.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.119 179.095 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -80.29 -4.65 54.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.465 179.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.7 14.17 73.76 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.51 79.9 2.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.794 0.331 . . . . 0.0 110.209 179.591 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -65.49 -34.75 79.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.493 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.0 72.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.059 0.457 . . . . 0.0 110.68 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.57 81.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.408 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.62 77.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.407 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -59.69 -43.22 94.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.588 -179.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.58 95.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -64.94 -41.39 95.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 41' ' ' MET . . . . . 0.54 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 98.3 mmm -63.25 -40.18 96.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.622 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -62.52 -43.91 97.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.876 0.369 . . . . 0.0 110.4 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.63 -40.31 96.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.271 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 44' ' ' SER . . . . . 0.595 ' HG ' ' HE ' ' C' ' 88' ' ' ARG . 78.1 p -62.0 -45.37 93.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 -179.818 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . 0.532 ' N ' ' HG ' ' C' ' 44' ' ' SER . 62.4 ttp180 -59.85 -42.85 94.55 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.352 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.28 -44.38 95.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.313 0.578 . . . . 0.0 110.577 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.78 99.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.325 179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.42 -40.42 95.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.698 179.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -60.99 -41.57 96.73 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.277 -179.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -64.74 -40.75 95.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.028 179.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.24 80.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.439 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 52' ' ' HIS . . . . . 0.428 ' CE1' ' CG2' ' C' ' 56' ' ' THR . 60.0 t-80 -61.2 -38.89 88.18 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.346 -179.819 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 53' ' ' LEU . . . . . 0.495 ' O ' ' OG1' ' C' ' 56' ' ' THR . 39.2 mt -60.83 -44.19 97.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.235 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 66.1 t -65.36 -43.22 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.045 0.45 . . . . 0.0 109.927 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 55' ' ' GLN . . . . . 0.717 HE21 ' NE2' ' C' ' 78' ' ' GLN . 0.0 OUTLIER -58.88 -45.09 91.03 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.275 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' C' C ' 56' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' C' ' 53' ' ' LEU . 41.3 p -57.88 -39.44 77.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.197 -179.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -64.26 -40.56 96.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.445 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.82 -30.21 71.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.768 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.58 ' CG1' HE22 ' C' ' 55' ' ' GLN . 96.8 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 C--O 1.226 -0.141 0 CA-C-O 121.036 0.446 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 50.2 tp -58.86 -44.12 90.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.653 -177.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 62.7 t -62.54 -44.85 99.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 130.06 3.344 . . . . 0.0 110.633 -178.052 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.58 -39.29 94.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 177.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.03 -48.0 89.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.193 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.41 -45.86 87.57 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.45 98.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.864 0.364 . . . . 0.0 110.363 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 78' ' ' GLN . . . . . 0.717 ' NE2' HE21 ' C' ' 55' ' ' GLN . 93.9 mm-40 -61.61 -39.59 91.79 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.316 179.295 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 41.7 tp -58.38 -46.58 86.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.47 -179.209 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.82 -48.23 66.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.74 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.49 -44.99 96.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.808 -179.145 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.7 -42.94 99.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.334 -179.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.4 p -64.61 -46.31 83.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.114 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.24 -49.63 74.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.573 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.2 -47.79 80.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.701 0.286 . . . . 0.0 110.468 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.18 -44.68 96.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.411 . . . . 0.0 110.166 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.63 -48.83 78.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.0 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 88' ' ' ARG . . . . . 0.595 ' HE ' ' HG ' ' C' ' 44' ' ' SER . 67.2 ttt-85 -58.61 -45.1 89.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.261 -179.534 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.61 -44.54 96.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.193 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.22 -42.82 96.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.139 0.495 . . . . 0.0 109.992 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 75.8 mt -60.12 -41.87 88.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.419 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 92' ' ' THR . . . . . 0.54 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 17.3 m -57.43 -45.37 84.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.037 0.446 . . . . 0.0 109.957 179.43 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.6 -43.71 96.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.499 179.278 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 85.5 mt -59.86 -43.66 94.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.85 -43.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.541 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.54 -39.76 92.23 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.98 -41.4 97.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.877 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 65.2 m80 -59.37 -39.04 82.03 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.186 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -61.3 -39.9 92.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.106 179.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -63.52 -38.83 92.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.16 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.302 179.765 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.503 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.867 0.841 . . . . 0.0 108.947 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.78 143.04 36.71 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.34 38.67 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.011 -1.056 . . . . 0.0 109.582 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.21 28.52 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.29 18.99 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.061 -1.025 . . . . 0.0 108.414 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.35 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.73 136.62 37.01 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 122.161 0.982 . . . . 0.0 110.101 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.5 mt -84.9 114.27 24.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.91 -4.22 19.39 Favored 'General case' 0 C--N 1.265 -3.105 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.912 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.81 85.78 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.637 -1.914 . . . . 0.0 110.645 178.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.43 -47.72 12.68 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 124.808 3.672 . . . . 0.0 114.17 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -102.14 27.61 6.51 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 116.049 -2.26 . . . . 0.0 108.783 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.49 -141.0 47.62 Favored Glycine 0 N--CA 1.496 2.689 0 C-N-CA 117.709 -2.186 . . . . 0.0 109.599 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.4 tp -89.76 64.77 6.59 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.975 -1.309 . . . . 0.0 109.531 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.622 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.7 OUTLIER -53.79 177.94 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.144 -178.063 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.559 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.0 OUTLIER -45.77 -65.95 0.47 Allowed 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -176.575 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.559 ' N ' ' OG1' ' D' ' 316' ' ' THR . 5.4 tmm_? -56.47 -49.95 90.52 Favored Pre-proline 0 N--CA 1.492 1.658 0 C-N-CA 120.163 -0.615 . . . . 0.0 112.522 -177.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.1 -32.19 64.22 Favored 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 120.577 0.851 . . . . 0.0 111.497 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.84 86.85 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.529 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -71.0 -39.65 72.3 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.94 -39.44 94.16 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.004 -1.478 . . . . 0.0 109.478 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.552 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.67 -45.3 93.43 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 122.638 1.208 . . . . 0.0 108.722 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . 0.607 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 53.2 t -62.62 -42.27 95.34 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.216 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.676 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.9 -40.27 96.1 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.708 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.455 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.81 -39.64 79.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.436 -0.79 . . . . 0.0 109.59 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.06 91.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.573 -1.329 . . . . 0.0 109.454 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . 0.607 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.0 mttp -61.24 -16.18 42.55 Favored 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.91 -10.61 86.09 Favored Glycine 0 N--CA 1.48 1.585 0 O-C-N 119.941 -1.725 . . . . 0.0 109.252 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.3 32.87 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.229 -1.747 . . . . 0.0 109.978 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.52 -30.11 59.69 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.236 -0.915 . . . . 0.0 112.381 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.78 158.56 10.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 119.833 -1.792 . . . . 0.0 112.837 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.25 35.4 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 102.774 -3.047 . . . . 0.0 102.774 171.289 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.78 136.59 60.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-O 122.271 1.034 . . . . 0.0 109.302 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.413 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.8 m -124.94 143.18 51.01 Favored 'General case' 0 C--N 1.286 -2.173 0 CA-C-O 123.108 1.432 . . . . 0.0 109.997 178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.413 ' N ' HG23 ' D' ' 334' ' ' THR . 86.4 t -108.02 129.94 61.36 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.719 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.5 m -127.45 119.54 26.34 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.85 -1.157 . . . . 0.0 108.917 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.53 122.62 39.32 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.881 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.75 38.92 24.27 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.865 -1.147 . . . . 0.0 112.797 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.72 10.93 83.59 Favored Glycine 0 N--CA 1.502 3.038 0 O-C-N 119.896 -1.752 . . . . 0.0 112.585 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.84 136.28 54.54 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 69.1 m -124.81 158.59 33.01 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.767 1.746 . . . . 0.0 112.393 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.39 31.35 Favored 'General case' 0 C--N 1.278 -2.533 0 CA-C-N 112.492 -2.14 . . . . 0.0 108.598 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.666 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.67 135.96 48.71 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 173.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.98 -6.7 47.13 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.685 -1.259 . . . . 0.0 110.716 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.666 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.59 13.03 31.51 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.639 -1.288 . . . . 0.0 109.383 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.6 t -133.1 104.14 6.37 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 122.159 0.98 . . . . 0.0 110.14 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.6 tp -57.27 -37.9 73.07 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.95 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -58.82 -51.43 70.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.594 -1.316 . . . . 0.0 113.079 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.45 70.61 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 119.582 -1.949 . . . . 0.0 109.172 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.8 -33.74 75.83 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.932 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.511 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 67.2 tp60 -67.66 -10.42 52.09 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.594 -0.691 . . . . 0.0 109.979 -177.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 41.7 p -89.79 -7.73 53.74 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 118.157 -1.417 . . . . 0.0 110.937 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.9 mt -93.37 159.27 15.33 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.222 -0.924 . . . . 0.0 110.233 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.81 2.96 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 106.965 -2.454 . . . . 0.0 106.965 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 90.5 mt -119.55 47.32 1.73 Allowed 'General case' 0 C--N 1.308 -1.209 0 O-C-N 120.661 -1.494 . . . . 0.0 107.402 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 62.0 p -81.43 172.54 13.41 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.184 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.68 140.95 57.29 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.829 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.19 78.99 Favored Glycine 0 N--CA 1.502 3.039 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.329 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.5 135.96 34.02 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.904 -1.351 . . . . 0.0 110.641 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.5 123.64 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.14 160.11 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 117.365 -1.734 . . . . 0.0 110.716 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.402 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.87 128.39 54.87 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.544 -1.347 . . . . 0.0 107.568 175.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.86 121.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.404 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.26 50.72 Favored 'General case' 0 C--N 1.286 -2.185 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.42 47.17 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 118.531 -1.268 . . . . 0.0 109.717 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.503 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.76 6.41 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.012 178.2 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.34 40.17 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 118.0 -2.048 . . . . 0.0 110.356 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.66 82.66 Favored 'General case' 0 C--N 1.275 -2.658 0 CA-C-N 114.41 -0.895 . . . . 0.0 112.232 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -113.99 36.79 3.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 118.966 -2.334 . . . . 0.0 108.566 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.4 -33.56 65.89 Favored 'General case' 0 N--CA 1.522 3.126 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 -174.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.467 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.7 27.38 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 119.606 -1.934 . . . . 0.0 110.982 -176.573 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.764 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.46 -40.69 97.8 Favored 'General case' 0 C--N 1.284 -2.245 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.51 77.58 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.466 -1.693 . . . . 0.0 110.062 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.8 -42.24 88.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 CA-C-O 122.2 1.0 . . . . 0.0 109.264 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.91 -47.87 76.68 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-O 122.029 0.919 . . . . 0.0 108.725 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.764 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.82 -38.3 76.51 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.675 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' D' ' 322' ' ' PHE . 79.9 mt -75.69 -28.55 58.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.276 -1.515 . . . . 0.0 110.86 -174.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.55 -39.49 70.32 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.378 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.14 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.455 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.22 -45.17 84.1 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 118.973 -1.091 . . . . 0.0 110.596 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.39 -37.37 85.51 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.92 -1.113 . . . . 0.0 111.517 -177.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.71 61.57 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.087 -1.008 . . . . 0.0 110.291 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.98 -32.25 45.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.456 -0.777 . . . . 0.0 111.336 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.08 125.48 12.31 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 124.275 1.988 . . . . 0.0 112.886 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.912 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 96.6 mt-10 . . . . . 0 C--N 1.277 -2.579 0 CA-C-N 111.165 -2.743 . . . . 0.0 110.121 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -55.0 -177.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.572 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 6' ' ' GLU . 48.1 tp10 -58.43 -81.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.484 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 3' ' ' GLU . 53.1 mt -38.02 -36.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.434 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -64.65 -46.68 81.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.851 0.358 . . . . 0.0 110.276 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' GLU . 80.3 tt0 -67.78 -35.1 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.241 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.71 -42.24 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.284 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.2 t -60.21 -44.46 95.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.907 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -58.47 -41.2 84.69 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.77 98.33 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.348 -1.101 . . . . 0.0 110.348 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.3 mt -62.92 -42.57 99.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.185 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.3 -44.4 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.722 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.11 -44.06 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.957 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.3 -45.82 92.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.802 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -60.43 -44.81 95.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.027 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.49 -41.95 99.11 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -63.7 -43.7 95.82 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -48.72 79.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.882 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.73 -46.35 90.76 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.0 t -54.46 -44.93 72.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.23 -43.01 99.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.741 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.46 -49.78 76.48 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -59.14 -43.37 92.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.553 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.72 88.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.815 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.08 88.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.693 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.41 -46.2 91.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.468 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.81 -43.03 72.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -60.14 -41.4 92.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.794 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.08 92.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.657 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.81 -29.7 69.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.119 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.48 -4.43 57.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.377 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.38 17.73 65.94 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -99.79 78.43 2.13 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.744 0.307 . . . . 0.0 110.241 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.38 -34.23 77.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.71 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.9 76.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.078 0.466 . . . . 0.0 110.782 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.11 79.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.357 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.24 84.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -61.6 -42.2 98.52 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.69 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.8 mtt -65.56 -41.93 92.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.457 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 72.5 mtm -63.63 -41.66 98.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.613 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.84 -45.56 93.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.554 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.57 -39.59 94.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.205 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.7 t -61.4 -46.21 91.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.55 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.15 -42.51 95.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.306 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.38 -44.54 95.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.196 0.522 . . . . 0.0 110.582 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.52 98.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.206 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.97 -40.15 94.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.665 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.35 -41.84 97.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.278 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.54 -40.05 92.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.182 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.55 -45.35 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.439 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.25 -39.57 87.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.395 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.3 mt -60.33 -45.16 94.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.328 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.82 -43.53 96.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.012 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -59.12 -44.37 92.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.278 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -55.71 -43.59 76.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.047 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.38 -41.78 97.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.923 0.392 . . . . 0.0 110.572 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.0 mt -65.99 -38.21 87.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.85 -39.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.855 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -73.4 -31.53 63.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.47 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.73 155.33 0.38 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -93.37 -21.41 19.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.551 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.46 140.51 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.66 -74.59 1.26 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.26 126.18 27.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.686 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.86 20.76 72.9 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -55.83 130.08 42.05 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.692 0.282 . . . . 0.0 110.469 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.8 mtp -84.44 140.8 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.578 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -88.71 -73.98 0.48 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.916 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -110.03 132.25 58.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.706 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.7 p -131.4 163.83 27.03 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.7 mt -57.76 -43.17 85.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.614 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.6 t -64.17 -46.62 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.874 0.369 . . . . 0.0 110.61 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.46 -41.17 98.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.044 0.45 . . . . 0.0 110.881 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.49 -47.0 92.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.216 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.93 -46.28 88.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.836 0.35 . . . . 0.0 110.314 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.58 -42.7 95.44 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.628 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.49 -40.94 98.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.136 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 47.5 tp -57.65 -45.81 85.02 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.336 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -67.37 -46.58 72.9 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.747 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.56 -45.51 93.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.849 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -62.32 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.164 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.1 p -64.24 -46.66 82.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.091 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.565 ' HG ' ' H ' ' A' ' 85' ' ' MET . 79.7 p -61.91 -49.67 75.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.565 ' H ' ' HG ' ' A' ' 84' ' ' SER . 8.5 tpp -57.74 -47.85 81.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.499 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.31 -44.63 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.107 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.98 79.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.86 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -58.46 -45.2 89.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.148 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -60.53 -44.86 95.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.071 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.2 mt -64.24 -42.47 96.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.114 0.483 . . . . 0.0 109.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.4 mt -60.36 -42.1 89.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.294 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.92 -45.39 86.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.016 0.436 . . . . 0.0 109.895 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.1 -43.52 98.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.621 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.578 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 85.0 mt -60.05 -43.55 95.3 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.37 -43.11 96.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.32 -38.94 91.37 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.3 mt -62.07 -41.36 98.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.904 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.2 m80 -60.34 -38.85 85.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.53 -39.28 87.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -64.07 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.219 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.0 mt -69.69 135.18 49.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.396 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 56.41 14.38 1.6 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.496 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.892 -1.052 . . . . 0.0 110.605 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -55.04 -177.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' B' ' 6' ' ' GLU . 47.7 tp10 -57.96 -81.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.99 0.424 . . . . 0.0 110.417 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' B' ' 3' ' ' GLU . 53.5 mt -38.12 -36.63 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.483 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.54 -46.86 81.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.944 0.402 . . . . 0.0 110.288 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 3' ' ' GLU . 80.5 tt0 -67.29 -35.76 80.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.25 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.2 -42.29 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.305 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.7 t -60.35 -44.21 95.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.846 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -58.83 -40.86 85.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.61 98.04 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.8 mt -63.0 -42.71 99.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.704 0.288 . . . . 0.0 110.309 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.419 HD13 HG22 ' B' ' 12' ' ' ILE . 95.2 mt -63.32 -44.3 99.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.703 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.14 -44.13 99.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.938 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.23 -45.99 92.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.844 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -60.36 -44.83 95.2 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.104 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -42.09 99.46 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.136 -1.185 . . . . 0.0 110.136 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -63.53 -43.77 96.16 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.01 -49.34 77.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.839 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.37 -46.08 91.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -54.73 -44.9 73.94 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.28 -42.77 99.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.747 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.84 -49.63 76.95 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.07 -43.4 91.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.692 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.13 89.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.723 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.25 -42.81 87.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.671 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.79 -46.36 89.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.297 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.81 -43.05 72.59 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -60.01 -41.47 92.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.899 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.13 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.705 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.86 -29.82 69.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.053 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -82.48 -4.57 57.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.392 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.78 17.31 65.99 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.38 78.6 2.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.845 0.355 . . . . 0.0 110.307 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.63 -34.16 77.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.586 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.14 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.1 0.476 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.1 79.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.349 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.22 85.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.523 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.77 -42.56 99.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.54 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.58 98.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.664 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.36 -41.81 93.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 73.0 mtm -63.85 -41.57 97.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.564 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -61.92 -45.23 94.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.426 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.94 -39.66 95.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.278 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -61.23 -46.27 91.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.528 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.22 -42.39 95.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.26 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.44 -44.79 95.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.316 0.579 . . . . 0.0 110.623 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.93 98.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.106 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.36 -40.33 93.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.75 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.26 -41.95 97.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.334 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -65.41 -40.3 93.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.114 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.54 76.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.478 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.36 -39.39 87.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.262 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.28 -45.01 94.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.312 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.45 -42.81 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.04 0.448 . . . . 0.0 110.095 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.413 HE21 HD23 ' B' ' 74' ' ' LEU . 68.0 tp60 -59.54 -44.22 93.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.326 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -55.67 -44.07 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.953 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.99 -42.08 97.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.868 0.366 . . . . 0.0 110.529 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.71 -38.37 89.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.672 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.72 -39.17 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.73 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -73.55 -31.38 63.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.497 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.55 156.0 0.41 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -93.8 -21.44 19.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.361 . . . . 0.0 110.586 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.59 140.57 44.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.63 -74.68 1.27 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.01 126.41 28.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.568 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.71 20.78 73.31 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -55.79 130.71 44.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.604 0.24 . . . . 0.0 110.512 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mtp -85.02 141.36 30.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.692 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -89.45 -73.65 0.5 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.807 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p -111.16 131.41 62.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.794 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 19.9 p -130.51 165.24 23.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.559 -178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 37.9 mt -59.6 -43.58 93.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.528 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.8 -46.18 96.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.591 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.413 HD23 HE21 ' B' ' 55' ' ' GLN . 89.5 mt -63.75 -40.67 97.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 -179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.61 -46.99 92.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.28 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.52 -46.05 89.97 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.346 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.38 -42.7 96.0 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.814 0.34 . . . . 0.0 110.378 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -63.45 -41.03 98.64 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.265 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.77 -45.41 86.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.403 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -67.58 -46.5 72.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.703 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.88 -45.66 92.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.86 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.96 -43.06 99.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.263 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.8 p -64.33 -46.59 82.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.224 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.564 ' HG ' ' H ' ' B' ' 85' ' ' MET . 80.5 p -62.01 -49.57 75.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.661 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.564 ' H ' ' HG ' ' B' ' 84' ' ' SER . 8.7 tpp -57.74 -47.81 81.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.466 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.53 -44.39 96.46 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.091 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.66 -49.13 78.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.837 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 65.0 ttt-85 -58.3 -45.32 88.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.273 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.54 -44.84 95.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.15 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.26 -42.24 96.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.025 0.44 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.5 mt -60.45 -42.27 90.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.233 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.58 -45.81 84.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.134 0.493 . . . . 0.0 109.876 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.97 -43.47 98.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.439 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 84.4 mt -59.84 -43.69 94.47 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.418 HG22 HD11 ' B' ' 95' ' ' ILE . 89.8 mt -61.36 -43.0 95.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.511 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -62.29 -38.81 90.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.787 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.5 -41.12 98.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.801 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.9 m80 -60.27 -38.56 83.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.84 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.87 -39.78 90.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.107 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -63.75 -37.42 87.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.198 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 84.8 mt -69.24 135.18 50.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.343 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 68.7 mttm 56.24 14.49 1.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.942 -1.027 . . . . 0.0 110.54 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -55.7 -177.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.528 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' C' ' 6' ' ' GLU . 48.1 tp10 -57.99 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' C' ' 3' ' ' GLU . 53.0 mt -38.2 -36.51 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.415 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.69 -47.02 79.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.319 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' C' ' 3' ' ' GLU . 80.1 tt0 -67.28 -35.11 78.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.297 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.71 -42.33 94.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.337 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.19 -44.75 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.003 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -58.17 -41.14 83.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.13 -41.96 98.23 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 32.0 mt -62.56 -42.94 99.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.93 0.395 . . . . 0.0 110.347 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.01 -44.29 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.733 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.1 -44.07 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.071 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.41 -45.94 92.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.768 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.1 -44.77 94.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.113 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.44 -42.42 99.04 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -63.27 -43.97 96.43 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.37 76.86 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.23 -46.3 90.26 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.0 t -54.66 -45.02 73.78 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.17 -42.63 99.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.723 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 -49.88 75.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.02 -43.61 91.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.515 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.78 88.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.718 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.95 89.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.622 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.28 -46.68 89.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.394 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.69 -43.07 72.16 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.13 -41.11 91.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.849 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.68 92.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.813 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.37 -29.88 70.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.046 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.23 -4.07 56.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.18 17.42 67.03 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -99.45 78.94 2.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.741 0.305 . . . . 0.0 110.257 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -64.85 -34.16 77.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.538 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.06 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.035 0.445 . . . . 0.0 110.706 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.51 -34.84 79.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.417 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.15 84.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.471 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.76 -42.34 98.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.623 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.52 98.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.767 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.3 mtt -65.41 -41.77 93.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.566 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 72.6 mtm -63.94 -41.46 97.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.608 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -62.09 -45.72 92.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.362 . . . . 0.0 110.407 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.34 -39.55 93.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.342 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 42.7 t -61.42 -46.25 90.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -60.27 -42.18 94.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.3 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -60.67 -44.78 96.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.316 0.579 . . . . 0.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.19 98.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.342 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.3 -40.13 93.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.723 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.74 -41.74 98.05 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.337 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.48 -39.91 92.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.978 0.418 . . . . 0.0 110.008 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.72 -45.3 75.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.45 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.56 -38.9 86.05 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.392 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.94 -44.67 96.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.287 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.35 -43.22 94.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.015 0.436 . . . . 0.0 110.0 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.409 HE21 HD23 ' C' ' 74' ' ' LEU . 67.6 tp60 -59.21 -44.91 92.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.292 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.7 m -54.91 -44.02 73.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.144 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.28 -41.76 97.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.498 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.87 -38.46 88.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.795 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.64 -38.94 81.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.831 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.511 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 -73.8 -31.43 63.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.433 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.67 156.08 0.44 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -93.87 -21.58 19.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.848 0.356 . . . . 0.0 110.56 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.25 140.52 45.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.66 -74.68 1.27 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.12 126.18 27.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.866 0.365 . . . . 0.0 110.613 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.12 20.51 72.63 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -55.57 130.88 44.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.633 0.254 . . . . 0.0 110.6 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 99.1 mtp -85.28 141.28 30.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.661 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -89.23 -73.78 0.5 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.95 131.1 63.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.711 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 20.8 p -129.42 168.21 16.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.45 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 19.8 mt -62.05 -42.39 99.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.708 -177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.33 -46.47 93.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 130.135 3.374 . . . . 0.0 110.626 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.409 HD23 HE21 ' C' ' 55' ' ' GLN . 90.7 mt -65.85 -40.14 91.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 177.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.17 -47.57 91.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.226 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.26 -46.18 89.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.313 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.63 95.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.922 0.391 . . . . 0.0 110.419 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -63.71 -41.03 98.16 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.211 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 45.6 tp -57.49 -45.59 84.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.465 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -67.77 -46.39 72.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.709 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.87 -45.53 93.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.814 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -62.0 -43.2 99.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.384 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.5 p -64.28 -46.84 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.165 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.573 ' HG ' ' H ' ' C' ' 85' ' ' MET . 78.3 p -61.72 -49.76 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.607 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.573 ' H ' ' HG ' ' C' ' 84' ' ' SER . 8.5 tpp -57.53 -47.97 80.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.737 0.304 . . . . 0.0 110.464 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.41 -44.38 96.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.163 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.16 78.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.926 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 64.4 ttt-85 -58.53 -45.28 89.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.21 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.37 -44.92 95.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.877 0.37 . . . . 0.0 110.126 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.18 -42.47 96.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.21 0.529 . . . . 0.0 110.074 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . 0.403 HD11 HG22 ' C' ' 91' ' ' ILE . 78.8 mt -60.41 -42.32 90.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.394 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.1 m -57.47 -45.7 84.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.067 0.46 . . . . 0.0 110.008 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.07 -43.54 98.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.487 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.565 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 84.7 mt -59.66 -43.54 93.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.347 0.594 . . . . 0.0 109.515 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.411 HG22 HD11 ' C' ' 95' ' ' ILE . 89.1 mt -61.37 -42.92 95.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.598 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -62.36 -38.92 91.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.724 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.36 -41.35 98.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.846 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.1 m80 -60.07 -38.65 83.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.755 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.02 -39.26 89.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.128 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -64.17 -37.1 86.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.254 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.63 134.76 49.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.295 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 68.8 mttm 56.72 14.28 1.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.526 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.329 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.497 179.872 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.504 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 121.89 0.852 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.07 36.65 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.33 38.58 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.035 -1.041 . . . . 0.0 109.569 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.2 149.14 28.42 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.32 18.92 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.057 -1.027 . . . . 0.0 108.401 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.85 144.32 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.7 136.65 36.94 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.181 0.991 . . . . 0.0 110.16 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.4 mt -84.99 114.37 25.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.1 p -106.9 -4.35 19.25 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.905 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.86 85.86 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 119.716 -1.865 . . . . 0.0 110.57 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -45.47 -47.76 12.72 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 124.75 3.633 . . . . 0.0 114.155 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -102.13 27.61 6.5 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 116.009 -2.276 . . . . 0.0 108.799 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.8 -141.92 48.21 Favored Glycine 0 N--CA 1.496 2.693 0 C-N-CA 117.698 -2.191 . . . . 0.0 109.604 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.7 tp -90.07 70.82 7.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.883 -1.363 . . . . 0.0 109.475 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.622 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.1 p80 -62.03 176.47 0.56 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 117.906 -1.518 . . . . 0.0 112.094 -178.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.1 p -42.7 -65.05 0.52 Allowed 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -176.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.536 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.1 tmt_? -56.46 -51.58 80.0 Favored Pre-proline 0 N--CA 1.493 1.691 0 C-N-CA 120.181 -0.608 . . . . 0.0 112.446 -177.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.48 -32.2 60.04 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 120.693 0.929 . . . . 0.0 111.513 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.8 86.73 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.221 -0.924 . . . . 0.0 109.54 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.97 -39.69 72.36 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -63.89 -39.43 94.16 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 118.015 -1.474 . . . . 0.0 109.51 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.55 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.68 -45.31 93.37 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 122.606 1.193 . . . . 0.0 108.681 -177.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.72 -42.29 95.58 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.6 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.77 -40.33 96.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.789 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.455 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.72 80.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 109.62 177.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.0 91.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.561 -1.337 . . . . 0.0 109.456 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.33 -16.19 43.53 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.282 -0.887 . . . . 0.0 113.339 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.95 -10.59 86.13 Favored Glycine 0 N--CA 1.479 1.525 0 O-C-N 119.873 -1.767 . . . . 0.0 109.271 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.405 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.46 143.37 32.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.227 -1.749 . . . . 0.0 110.009 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.7 p -75.66 -29.99 59.28 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.243 -0.911 . . . . 0.0 112.335 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.84 158.63 10.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.841 -1.787 . . . . 0.0 112.777 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.04 130.28 35.35 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 102.79 -3.041 . . . . 0.0 102.79 171.305 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.76 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.413 0 CA-C-O 122.222 1.01 . . . . 0.0 109.307 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.418 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.5 m -124.88 143.25 50.94 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 123.06 1.41 . . . . 0.0 109.952 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.418 ' N ' HG23 ' D' ' 334' ' ' THR . 85.7 t -108.2 129.9 61.69 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.721 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 173.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.6 m -127.41 119.52 26.35 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.846 -1.159 . . . . 0.0 108.948 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.0 t -122.54 122.62 39.33 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.578 -0.701 . . . . 0.0 109.93 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.77 38.95 24.46 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.94 -1.1 . . . . 0.0 112.719 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.67 11.0 83.56 Favored Glycine 0 N--CA 1.502 3.093 0 O-C-N 119.913 -1.742 . . . . 0.0 112.521 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 67.9 m -124.8 158.53 33.14 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-O 123.833 1.777 . . . . 0.0 112.449 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.42 31.47 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 112.438 -2.164 . . . . 0.0 108.55 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.664 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.68 136.05 48.77 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 173.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.03 -6.81 48.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.715 -1.24 . . . . 0.0 110.68 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.664 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.6 mttt -97.4 12.88 31.65 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.633 -1.292 . . . . 0.0 109.418 -177.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.4 t -133.06 104.2 6.41 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.202 1.001 . . . . 0.0 110.092 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.9 tp -57.27 -37.87 73.02 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.968 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.93 -51.33 70.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.614 -1.304 . . . . 0.0 113.064 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.06 -32.43 70.54 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 119.65 -1.906 . . . . 0.0 109.217 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.83 -33.73 75.85 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.941 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.5 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 67.7 tp60 -67.65 -10.39 51.78 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.678 -0.639 . . . . 0.0 109.988 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 352' ' ' THR . . . . . 0.475 ' C ' ' OE1' ' C' ' 60' ' ' GLU . 32.8 p -89.76 -7.75 53.75 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 118.141 -1.423 . . . . 0.0 110.95 -178.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.36 159.29 15.32 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.213 -0.93 . . . . 0.0 110.175 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 106.937 -2.465 . . . . 0.0 106.937 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.61 47.3 1.74 Allowed 'General case' 0 C--N 1.308 -1.203 0 O-C-N 120.761 -1.435 . . . . 0.0 107.378 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 64.7 p -81.38 172.59 13.37 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.227 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.75 140.9 57.4 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.872 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.13 78.96 Favored Glycine 0 N--CA 1.502 3.035 0 C-N-CA 120.029 -1.081 . . . . 0.0 111.317 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.39 135.93 34.08 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 120.904 -1.351 . . . . 0.0 110.651 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.54 123.68 48.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.13 160.05 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 C-N-CA 117.411 -1.716 . . . . 0.0 110.63 178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.0 m -108.86 128.38 54.85 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.482 -1.386 . . . . 0.0 107.643 175.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.9 121.4 60.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.56 147.21 50.69 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -179.509 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.7 153.49 47.26 Favored 'General case' 0 C--N 1.292 -1.924 0 C-N-CA 118.496 -1.282 . . . . 0.0 109.762 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.504 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.26 110.78 6.4 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 118.522 -1.271 . . . . 0.0 107.989 178.211 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.28 40.15 Favored Glycine 0 C--N 1.297 -1.62 0 C-N-CA 117.948 -2.072 . . . . 0.0 110.331 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.69 82.92 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-N 114.399 -0.9 . . . . 0.0 112.21 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.96 36.75 3.54 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 115.884 -2.326 . . . . 0.0 108.576 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.32 -33.56 65.72 Favored 'General case' 0 N--CA 1.52 3.067 0 N-CA-C 116.885 2.18 . . . . 0.0 116.885 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.479 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.61 27.31 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 119.604 -1.935 . . . . 0.0 110.967 -176.56 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.764 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.71 97.76 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.25 -49.41 77.95 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 117.415 -1.714 . . . . 0.0 110.043 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.82 -42.23 88.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 CA-C-O 122.273 1.035 . . . . 0.0 109.345 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.89 -47.89 76.61 Favored 'General case' 0 C--N 1.287 -2.139 0 CA-C-O 122.005 0.907 . . . . 0.0 108.749 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.764 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.8 m-70 -69.68 -38.43 77.03 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.718 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.7 mt -75.53 -28.67 59.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.459 -1.401 . . . . 0.0 110.896 -174.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.46 70.98 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.34 62.63 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.455 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.18 -45.33 83.79 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.554 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.31 -37.32 85.13 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.88 -1.137 . . . . 0.0 111.563 -177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.85 61.65 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.025 -1.047 . . . . 0.0 110.246 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.93 -32.27 45.49 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.5 -0.75 . . . . 0.0 111.341 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.13 125.46 12.34 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.305 2.002 . . . . 0.0 112.864 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.905 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 33.8 tp10 . . . . . 0 C--N 1.277 -2.553 0 CA-C-N 111.074 -2.784 . . . . 0.0 110.164 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.0 144.93 56.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.7 mt-10 -61.56 -40.16 93.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.461 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 3' ' ' GLU . 93.8 mt -37.98 -34.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.451 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.11 -46.45 80.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.913 0.387 . . . . 0.0 110.248 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' GLU . 84.6 tt0 -68.48 -35.74 77.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.291 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.02 -42.52 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.414 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.57 -44.33 96.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.938 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.5 -41.15 89.22 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.25 -42.16 96.41 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.02 -42.5 99.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.223 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.428 HD11 HG21 ' A' ' 12' ' ' ILE . 92.8 mt -63.02 -43.79 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.708 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.14 -44.24 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.99 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -60.57 -46.4 90.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.799 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -60.8 -44.29 97.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.985 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.22 99.05 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.53 -42.92 98.4 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.46 -49.04 77.55 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -61.0 -46.28 91.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 m -54.73 -44.47 73.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.96 -42.23 99.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.73 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.83 76.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.56 -42.07 91.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.621 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.29 94.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.799 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -42.89 83.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.663 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.18 -45.34 95.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.496 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -56.65 -41.72 77.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.0 -43.82 98.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.838 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.81 93.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.718 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -60.43 -30.8 69.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.145 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -79.99 -1.74 40.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.431 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.14 14.24 75.15 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.79 80.36 3.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.764 0.316 . . . . 0.0 110.252 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -64.84 -35.03 79.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.651 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -48.66 79.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.994 0.426 . . . . 0.0 110.757 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.32 80.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.354 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.84 81.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.558 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -61.44 -42.76 99.25 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.599 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.63 97.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.794 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.01 -42.02 94.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.454 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.2 mtm -64.33 -39.92 94.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.573 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.9 -45.25 94.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.932 0.396 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -62.38 -39.45 93.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.18 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.4 m -61.39 -45.16 95.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.533 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.32 -42.06 94.83 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.327 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.62 -43.77 97.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.191 0.52 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.16 97.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.282 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.05 -40.47 94.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.661 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -61.3 -41.76 97.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.307 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -65.03 -40.72 95.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.206 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.12 -44.8 78.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.45 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.81 -39.5 89.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.38 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.03 -44.49 97.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.354 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.43 -43.68 94.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.051 0.453 . . . . 0.0 110.015 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.512 HE22 ' CB ' ' A' ' 77' ' ' ALA . 5.4 tp-100 -59.77 -43.69 94.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.282 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -55.42 -44.14 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.076 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.43 -41.18 93.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.499 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.18 -39.35 86.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.667 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.431 HG21 HD11 ' A' ' 59' ' ' ILE . 95.3 mt -66.43 -40.03 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -69.75 -30.8 68.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.34 -14.74 65.65 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -98.3 -23.13 15.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.55 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.88 108.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.562 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.19 138.53 16.04 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -88.11 114.17 24.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 110.655 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.68 -5.88 43.38 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -105.41 -165.55 1.13 Allowed 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.779 0.323 . . . . 0.0 110.41 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.75 140.05 58.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.59 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -39.16 -91.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.934 0.397 . . . . 0.0 110.938 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 71' ' ' SER . 32.7 m -94.21 -143.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.725 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 70' ' ' VAL . 90.8 p -135.35 170.55 15.76 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.12 -43.38 87.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.597 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.2 t -61.93 -46.3 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.866 0.365 . . . . 0.0 110.609 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.512 ' CD2' ' OE1' ' A' ' 55' ' ' GLN . 30.3 mt -61.58 -38.8 88.86 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 63.2 t -59.29 -47.37 90.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.186 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -59.72 -45.53 91.89 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.329 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.512 ' CB ' HE22 ' A' ' 55' ' ' GLN . . . -61.9 -44.17 97.33 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.648 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.7 -37.96 86.1 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.141 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.2 tp -57.73 -47.31 82.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.379 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.427 ' O ' ' OG1' ' A' ' 83' ' ' THR . 74.8 m80 -67.36 -47.39 70.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.34 -45.37 94.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.861 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.4 mmm -61.55 -42.84 99.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.196 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 20.8 p -63.01 -46.7 86.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.112 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -61.97 -48.69 79.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.49 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.75 -48.66 78.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.522 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.13 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.07 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.0 83.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.876 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -58.01 -46.07 85.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.114 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.5 -44.5 95.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.057 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.75 -43.13 94.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.211 0.529 . . . . 0.0 109.81 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.82 -42.37 92.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.295 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.2 m -58.04 -45.59 86.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.461 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 98.6 mt-10 -63.33 -42.67 98.99 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.92 -42.57 94.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.2 mt -60.85 -43.12 94.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.472 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -61.51 -38.5 87.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.4 mt -62.38 -41.57 98.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.928 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -59.09 -39.99 83.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.761 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.34 -40.09 89.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.155 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.3 -36.14 83.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.25 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 43.9 mt -83.05 -7.05 59.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.372 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 56.91 26.21 11.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.472 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.583 179.759 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.15 145.02 56.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.607 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.6 mt-10 -61.55 -40.27 94.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.485 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' B' ' 3' ' ' GLU . 93.9 mt -38.1 -33.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.491 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.4 mt-10 -65.32 -46.64 79.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.1 tt0 -67.93 -35.9 79.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.239 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 79.9 t -64.08 -42.72 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 98.2 t -60.49 -43.96 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.889 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.1 mtp -59.79 -41.07 90.36 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -42.24 96.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.169 -1.173 . . . . 0.0 110.169 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.07 -42.4 99.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.864 0.364 . . . . 0.0 110.388 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.14 -43.83 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.701 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.11 -43.92 99.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.935 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -61.11 -46.1 91.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.887 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.8 t -60.75 -44.45 96.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.104 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.08 -43.44 98.77 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.146 -1.181 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.97 -43.05 99.86 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.61 -49.04 77.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.915 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 -60.75 -46.38 90.67 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -54.63 -44.57 73.29 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.92 -42.28 99.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.66 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.74 76.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.54 -41.84 90.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.668 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.02 95.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.746 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.12 85.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.636 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.1 -45.48 94.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.33 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.56 -41.89 77.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.83 -43.63 98.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.807 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.06 95.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.743 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.16 -30.64 69.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.075 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.03 -1.91 41.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.413 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.29 13.92 75.51 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.53 80.18 3.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.797 0.332 . . . . 0.0 110.34 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -64.74 -34.95 79.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.649 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.99 -49.25 76.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.077 0.465 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.14 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.415 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.17 80.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.524 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -61.08 -43.25 99.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.555 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.86 98.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.7 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.89 -42.14 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.514 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 73.2 mtm -64.1 -40.16 95.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.516 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.73 -45.3 94.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.464 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.23 -39.68 93.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.255 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.3 m -61.2 -45.31 95.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.483 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -60.24 -41.97 94.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.295 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -60.37 -43.99 96.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.293 0.568 . . . . 0.0 110.664 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.3 97.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.185 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.01 -40.47 94.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.673 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.42 -41.59 97.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.322 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -65.13 -40.87 95.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.079 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.08 -44.81 79.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.409 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.96 -39.44 89.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.221 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.98 -44.48 97.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.391 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.6 -43.63 93.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.035 0.445 . . . . 0.0 110.038 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.515 ' OE1' ' CD2' ' B' ' 74' ' ' LEU . 5.4 tp-100 -59.65 -43.51 93.86 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.213 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -55.83 -44.02 77.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.971 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.56 -40.76 92.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.844 0.354 . . . . 0.0 110.536 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.5 mt -67.63 -38.98 84.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.416 HD11 HG21 ' B' ' 59' ' ' ILE . 94.9 mt -66.86 -40.17 85.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.728 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -69.44 -30.58 68.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.577 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.81 -14.35 65.24 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -98.54 -23.63 15.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.82 0.343 . . . . 0.0 110.6 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.63 108.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.419 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.33 138.75 16.14 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -87.97 114.44 24.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.734 0.302 . . . . 0.0 110.658 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.43 -5.38 44.76 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -106.03 -165.45 1.1 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.559 0.218 . . . . 0.0 110.526 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 77.3 mtm -62.78 141.02 58.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.612 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -40.35 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.837 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 m -92.52 -143.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 99.7 p -135.24 171.23 14.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.546 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 tt -59.87 -43.26 94.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.583 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 47.6 t -61.25 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.58 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.515 ' CD2' ' OE1' ' B' ' 55' ' ' GLN . 32.5 mt -61.58 -38.67 88.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.08 0.467 . . . . 0.0 110.936 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.2 -47.13 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.305 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.44 -44.76 95.48 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.257 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.497 ' CB ' HE22 ' B' ' 55' ' ' GLN . . . -62.22 -44.5 96.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.915 0.388 . . . . 0.0 110.414 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -61.47 -37.98 85.57 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.231 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 36.8 tp -57.79 -47.01 83.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.423 ' O ' ' OG1' ' B' ' 83' ' ' THR . 75.2 m80 -67.58 -47.25 70.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.721 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.52 -45.25 94.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.49 -42.88 99.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.211 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 21.1 p -63.31 -45.88 89.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.178 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.56 -48.55 78.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 67.0 ttp -58.38 -47.81 82.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.437 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.97 -43.5 98.71 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.13 82.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.907 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 69.4 ttt-85 -58.04 -45.91 86.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.246 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.62 -44.38 96.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.149 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.72 -42.64 95.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.092 0.472 . . . . 0.0 110.01 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.45 -42.53 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.175 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 83.3 m -57.82 -45.52 86.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.049 0.452 . . . . 0.0 109.852 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . 0.452 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 99.3 mt-10 -63.42 -42.59 98.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.461 ' CD1' ' OE1' ' A' ' 93' ' ' GLU . 76.9 mt -59.95 -42.69 94.62 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.8 -43.16 94.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.488 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.37 -38.5 87.22 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 mt -62.44 -41.35 98.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.82 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -59.3 -40.15 85.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.782 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.18 -40.28 89.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.151 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.24 -36.03 82.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.232 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 46.1 mt -82.82 -7.77 59.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 57.38 26.2 12.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.604 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.547 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.16 145.21 56.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.611 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.5 mt-10 -61.47 -40.31 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.355 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' C' ' 3' ' ' GLU . 93.8 mt -38.09 -34.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.463 -179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.04 -46.67 80.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 0.0 110.333 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.2 tt0 -68.01 -35.63 78.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.303 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 78.3 t -64.24 -42.55 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.353 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 99.4 t -60.67 -44.09 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.004 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -59.61 -41.2 89.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -42.19 96.28 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.87 -42.62 99.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.379 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.97 -44.01 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.697 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.77 -43.93 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.09 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -61.12 -46.31 91.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.757 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.2 t -60.64 -44.45 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.118 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -43.26 98.84 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -49.77 75.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -60.36 -46.49 89.76 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -54.63 -44.6 73.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.65 -42.37 99.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.739 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.9 76.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.31 -41.87 90.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.522 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.4 96.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.676 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.94 83.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.609 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.14 -45.76 93.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.407 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -56.41 -41.76 76.85 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.97 -43.74 98.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.904 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.04 93.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.825 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -60.47 -30.57 69.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.08 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -80.07 -1.9 41.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.431 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.17 14.35 74.78 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -97.03 80.72 2.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.834 0.35 . . . . 0.0 110.266 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -65.25 -34.96 79.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.515 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.92 77.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.677 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.06 79.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.405 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -47.56 82.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.476 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -61.68 -43.13 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.647 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.99 99.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.78 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.06 -42.35 94.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 72.6 mtm -63.82 -40.2 96.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.67 -45.52 93.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.914 0.388 . . . . 0.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -62.11 -39.69 93.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.333 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 68.7 m -61.03 -45.22 95.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.537 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -60.37 -42.0 94.91 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.373 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.49 -43.4 97.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.332 0.587 . . . . 0.0 110.517 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.39 96.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.354 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.8 -40.73 95.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.734 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.19 -41.68 97.25 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.317 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -65.22 -40.66 94.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.026 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.23 -44.53 79.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.433 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.34 -39.03 89.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.321 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 42.3 mt -61.42 -44.65 96.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.12 -43.75 95.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.056 0.455 . . . . 0.0 109.97 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.544 ' OE1' ' CD2' ' C' ' 74' ' ' LEU . 5.4 tp-100 -59.76 -43.42 94.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.276 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -55.97 -43.92 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.118 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.3 -41.32 93.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.544 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.11 -39.23 86.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.75 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.415 HG21 HD11 ' C' ' 59' ' ' ILE . 95.5 mt -66.54 -39.88 85.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.5 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.7 mm-40 -69.93 -30.52 67.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.467 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.83 -14.22 65.43 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -98.49 -23.68 15.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.351 . . . . 0.0 110.493 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.67 108.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.488 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.22 138.62 16.11 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -87.97 114.7 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.362 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.15 -5.3 42.97 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -105.85 -165.5 1.11 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.609 0.242 . . . . 0.0 110.581 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.77 141.14 58.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.58 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -40.41 -90.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 33.3 m -92.52 -144.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.718 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 99.7 p -133.98 173.7 11.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.538 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.57 -43.55 97.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.697 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.17 -45.96 97.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 130.097 3.359 . . . . 0.0 110.61 -178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.544 ' CD2' ' OE1' ' C' ' 55' ' ' GLN . 37.1 mt -63.8 -38.24 90.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.031 0.443 . . . . 0.0 110.981 177.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 63.2 t -59.65 -47.91 89.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.16 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.18 -44.72 94.84 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.301 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . 0.508 ' CB ' HE22 ' C' ' 55' ' ' GLN . . . -62.52 -44.18 96.98 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.881 0.372 . . . . 0.0 110.431 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -61.7 -37.76 85.32 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.232 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 35.7 tp -58.07 -47.27 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.435 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.439 ' O ' ' OG1' ' C' ' 83' ' ' THR . 74.8 m80 -67.23 -47.35 71.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.733 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.43 -45.1 95.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.831 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.81 -42.27 98.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.402 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 21.0 p -63.69 -46.02 87.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.209 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -62.57 -48.48 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.604 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.8 ttp -58.1 -48.06 81.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.536 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.65 -43.54 98.66 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.131 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.03 82.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.931 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 69.2 ttt-85 -58.17 -45.9 86.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.253 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.28 -44.57 95.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.177 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.89 -42.84 94.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.174 0.511 . . . . 0.0 110.035 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 76.0 mt -61.03 -42.54 93.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.379 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 78.9 m -57.8 -45.64 85.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.003 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.27 -42.69 99.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.499 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.452 ' CD1' ' OE1' ' B' ' 93' ' ' GLU . 77.5 mt -59.73 -42.6 93.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 87.2 mt -60.95 -43.11 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.604 178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.14 -38.72 87.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.744 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.37 -41.26 98.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.907 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -59.34 -40.23 85.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.713 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.29 -39.88 88.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.5 -36.08 83.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.172 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 45.4 mt -83.01 -7.66 59.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.289 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 57.64 25.96 12.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.481 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.474 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.512 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 121.93 0.872 . . . . 0.0 108.926 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.463 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.68 142.98 36.89 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.36 38.7 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.961 -1.087 . . . . 0.0 109.59 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.16 149.17 28.47 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.32 18.95 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.017 -1.052 . . . . 0.0 108.408 178.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.86 144.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.7 136.57 37.05 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 122.139 0.971 . . . . 0.0 110.154 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.2 mt -84.87 114.36 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.94 -4.3 19.25 Favored 'General case' 0 C--N 1.265 -3.1 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.908 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.79 85.77 Favored Pre-proline 0 N--CA 1.499 1.996 0 O-C-N 119.657 -1.902 . . . . 0.0 110.616 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.52 -47.64 12.98 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 124.798 3.665 . . . . 0.0 114.138 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -102.16 27.57 6.55 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 116.055 -2.258 . . . . 0.0 108.721 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.55 -136.66 50.38 Favored Glycine 0 N--CA 1.497 2.75 0 C-N-CA 117.731 -2.176 . . . . 0.0 109.533 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 3.6 mt -91.54 70.5 5.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.902 -1.352 . . . . 0.0 109.455 -176.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.676 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.7 OUTLIER -60.63 176.21 0.4 Allowed 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 117.927 -1.509 . . . . 0.0 112.093 -179.315 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.507 ' HG1' ' CG2' ' A' ' 12' ' ' ILE . 3.6 p -42.89 -65.61 0.46 Allowed 'General case' 0 N--CA 1.504 2.269 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.48 ' N ' ' OG1' ' D' ' 316' ' ' THR . 4.4 tmm_? -58.03 -50.58 87.33 Favored Pre-proline 0 N--CA 1.493 1.685 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.517 -177.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.2 -32.31 63.0 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 120.854 1.036 . . . . 0.0 111.456 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.91 -38.83 86.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.244 -0.91 . . . . 0.0 109.52 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.7 72.39 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.91 -39.45 94.19 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.497 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.549 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.68 -45.33 93.26 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.579 1.181 . . . . 0.0 108.669 -177.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.64 -42.27 95.38 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.672 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.83 -40.32 96.33 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.184 -0.947 . . . . 0.0 109.743 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.463 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.85 -39.63 79.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.812 . . . . 0.0 109.574 178.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.03 91.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.623 -1.298 . . . . 0.0 109.481 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.24 -16.31 43.88 Favored 'General case' 0 N--CA 1.51 2.543 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.83 -10.6 86.0 Favored Glycine 0 N--CA 1.48 1.611 0 O-C-N 119.958 -1.714 . . . . 0.0 109.322 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.404 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.43 143.31 32.87 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.198 -1.766 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.61 -30.05 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.305 -0.872 . . . . 0.0 112.363 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.8 158.56 10.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.804 -1.81 . . . . 0.0 112.794 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.575 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.0 130.31 35.39 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 102.8 -3.037 . . . . 0.0 102.8 171.316 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.69 136.58 60.39 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.396 0 O-C-N 121.07 -1.018 . . . . 0.0 109.298 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.408 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.6 m -124.94 143.14 51.03 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 123.052 1.406 . . . . 0.0 110.013 178.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.408 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.07 129.91 61.48 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.727 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 173.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 69.7 m -127.43 119.58 26.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.899 -1.126 . . . . 0.0 108.929 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.52 122.61 39.32 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.557 -0.714 . . . . 0.0 109.907 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.66 38.99 24.2 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.819 -1.176 . . . . 0.0 112.799 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.7 10.98 83.54 Favored Glycine 0 N--CA 1.501 3.015 0 O-C-N 119.917 -1.739 . . . . 0.0 112.536 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.73 158.52 33.05 Favored 'General case' 0 C--N 1.276 -2.615 0 CA-C-O 123.772 1.748 . . . . 0.0 112.444 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.37 Favored 'General case' 0 C--N 1.279 -2.467 0 CA-C-N 112.449 -2.159 . . . . 0.0 108.629 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.667 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.63 135.95 48.78 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 173.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.92 -6.78 47.51 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.751 -1.218 . . . . 0.0 110.73 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.667 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.52 13.0 31.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.634 -1.291 . . . . 0.0 109.331 -177.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 67.8 m -133.13 104.22 6.4 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.249 1.023 . . . . 0.0 110.108 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.2 -38.03 73.08 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.921 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -58.87 -51.36 70.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.571 -1.331 . . . . 0.0 113.016 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.41 70.47 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 119.543 -1.973 . . . . 0.0 109.26 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.81 -33.75 75.86 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.944 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.58 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.66 -10.47 52.52 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.649 -0.657 . . . . 0.0 109.935 -177.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.7 p -89.84 -7.6 53.92 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 118.075 -1.45 . . . . 0.0 110.963 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . 0.527 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 97.4 mt -93.4 159.27 15.33 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.192 -0.943 . . . . 0.0 110.164 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.87 2.96 Favored Glycine 0 N--CA 1.485 1.943 0 N-CA-C 106.943 -2.463 . . . . 0.0 106.943 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 90.5 mt -119.64 47.44 1.72 Allowed 'General case' 0 C--N 1.309 -1.194 0 O-C-N 120.708 -1.466 . . . . 0.0 107.429 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 6.5 p -81.47 172.53 13.4 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.183 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.69 140.97 57.31 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.869 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.22 79.07 Favored Glycine 0 N--CA 1.5 2.947 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.416 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.44 135.91 34.07 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.876 -1.367 . . . . 0.0 110.633 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.47 123.69 48.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.16 160.14 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 C-N-CA 117.343 -1.743 . . . . 0.0 110.661 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.4 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.8 m -108.97 128.34 54.86 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.585 -1.322 . . . . 0.0 107.621 175.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.82 121.39 60.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 176.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.407 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.56 147.24 50.69 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.57 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.46 47.2 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.752 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.84 6.44 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 118.508 -1.277 . . . . 0.0 108.011 178.183 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.21 -170.28 40.11 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 117.977 -2.059 . . . . 0.0 110.337 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.6 83.03 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 114.356 -0.922 . . . . 0.0 112.129 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 115.878 -2.329 . . . . 0.0 108.616 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -33.52 65.73 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -174.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.469 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.61 27.34 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.549 -1.969 . . . . 0.0 110.962 -176.536 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.773 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.55 -40.73 97.77 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 178.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.42 77.92 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 117.436 -1.706 . . . . 0.0 110.051 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.9 -42.21 88.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 122.258 1.028 . . . . 0.0 109.26 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.88 -47.98 76.41 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.965 0.888 . . . . 0.0 108.65 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.773 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.78 -38.23 76.63 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.764 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.549 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.6 mt -75.66 -28.54 58.78 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.394 -1.441 . . . . 0.0 110.92 -174.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.48 70.64 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.29 62.81 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.463 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.19 84.3 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.503 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.45 -37.27 85.26 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.9 -1.125 . . . . 0.0 111.551 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.75 61.45 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.076 -1.015 . . . . 0.0 110.293 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.81 -32.38 46.3 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.478 -0.764 . . . . 0.0 111.337 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 125.5 12.24 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 124.299 2.0 . . . . 0.0 112.911 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.908 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 76.5 mt-10 . . . . . 0 C--N 1.277 -2.569 0 CA-C-N 111.148 -2.751 . . . . 0.0 110.077 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 58.9 mp0 -67.61 144.81 55.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.506 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 6' ' ' GLU . 22.3 pt-20 -62.66 -36.81 84.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.514 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 3' ' ' GLU . 64.4 mt -38.6 -32.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.474 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 3' ' ' GLU . 75.0 mm-40 -64.63 -47.01 80.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.88 0.371 . . . . 0.0 110.282 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 3' ' ' GLU . 84.7 tt0 -67.42 -36.23 80.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.247 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.92 -42.5 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.408 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -61.09 -44.87 99.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.952 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -59.31 -42.06 90.48 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.44 -42.07 97.75 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.2 mt -63.45 -43.01 98.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.869 0.366 . . . . 0.0 110.185 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.507 ' CG2' ' HG1' ' D' ' 316' ' ' THR . 95.0 mt -63.16 -44.71 99.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.75 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.17 -44.28 99.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.941 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -61.45 -45.01 96.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.818 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.512 ' OG ' ' OG ' ' A' ' 84' ' ' SER . 11.9 t -60.7 -45.21 95.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.031 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -42.16 99.24 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -63.62 -45.36 90.63 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.44 -48.76 79.67 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.828 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.0 -45.65 93.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.84 -44.66 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.65 -41.54 97.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.737 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.57 78.03 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -59.9 -41.05 90.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.592 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.46 94.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.749 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.79 87.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.703 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.11 -44.49 97.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.443 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.4 -42.21 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.22 0.533 . . . . 0.0 109.597 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.14 -41.42 96.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.788 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.31 93.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.677 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.02 -29.36 70.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.196 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.37 -4.98 53.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.448 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.98 80.41 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -95.18 80.95 3.61 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.8 0.333 . . . . 0.0 110.238 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -65.37 -35.4 80.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.662 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -51.52 67.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.032 0.444 . . . . 0.0 110.821 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.65 81.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.306 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.67 -49.27 77.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.58 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.94 -41.35 96.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.67 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.03 94.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.4 mmm -65.06 -41.94 94.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.503 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.554 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 99.5 mmm -63.75 -39.84 95.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.612 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -62.38 -44.89 95.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.0 0.429 . . . . 0.0 110.522 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.53 -40.33 96.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.236 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.3 t -61.68 -45.72 92.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.577 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.705 ' NH2' HH12 ' A' ' 88' ' ' ARG . 62.7 ttm-85 -60.57 -42.38 96.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.342 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.2 mtt -61.7 -42.76 99.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.236 0.541 . . . . 0.0 110.61 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.84 96.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.208 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.68 -39.79 91.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.676 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -61.27 -41.48 97.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.263 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.0 -40.06 94.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.127 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.08 79.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.511 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -61.97 -38.48 88.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.376 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -61.27 -43.11 99.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.324 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.5 t -65.52 -43.53 94.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.129 0.49 . . . . 0.0 110.071 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.598 HE22 ' CG1' ' A' ' 59' ' ' ILE . 8.2 tm0? -60.97 -42.64 98.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.21 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -56.9 -43.41 81.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.041 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.34 -38.39 89.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.54 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.86 -28.44 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.598 ' CG1' HE22 ' A' ' 55' ' ' GLN . 71.8 mt -90.17 -31.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.77 -9.01 59.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.472 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.0 -170.08 9.57 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.585 ' OD1' ' N ' ' A' ' 63' ' ' ALA . 67.5 t0 -63.76 142.01 58.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.552 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.585 ' N ' ' OD1' ' A' ' 62' ' ' ASP . . . -61.42 144.12 54.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 67' ' ' LYS . . . -66.86 160.11 48.37 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.585 ' C ' ' H ' ' A' ' 67' ' ' LYS . 14.3 pt-20 -66.07 127.43 32.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.723 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.23 -29.98 0.32 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.585 ' H ' ' C ' ' A' ' 65' ' ' GLU . 99.5 mttt -100.81 146.2 27.59 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.721 0.296 . . . . 0.0 110.445 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.1 mtm -76.11 -116.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.607 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -96.69 -16.28 21.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.93 0.395 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 t -96.76 114.87 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.737 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.499 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 96.6 p -130.76 161.92 30.65 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 35.5 mt -57.37 -43.94 83.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.65 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.26 -47.66 88.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 120.925 0.393 . . . . 0.0 110.585 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.499 ' H ' ' HG ' ' A' ' 71' ' ' SER . 91.2 mt -63.5 -41.68 98.53 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -178.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.93 -46.86 91.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.211 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.38 -45.19 92.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.787 0.327 . . . . 0.0 110.307 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.63 92.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.801 0.334 . . . . 0.0 110.656 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -62.96 -40.16 96.86 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.169 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 42.9 tp -57.31 -47.06 82.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.416 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.416 ' HD1' HG12 ' A' ' 12' ' ' ILE . 44.5 m170 -67.29 -46.95 72.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.708 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.73 -46.39 89.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.756 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.57 -44.19 97.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.244 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.8 p -62.91 -47.56 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.05 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.512 ' OG ' ' OG ' ' A' ' 15' ' ' SER . 66.0 m -61.39 -48.37 81.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.88 -48.34 80.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.55 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.36 -45.14 95.61 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.098 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -47.43 85.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.808 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.705 HH12 ' NH2' ' A' ' 45' ' ' ARG . 1.9 tmt_? -58.48 -45.68 88.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.082 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 97.0 mt-10 -61.37 -43.18 99.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.077 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.89 -42.99 97.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.114 0.483 . . . . 0.0 109.859 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 91' ' ' ILE . 79.1 mt -60.95 -42.26 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.282 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.554 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 18.4 m -57.11 -46.32 82.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.005 0.431 . . . . 0.0 109.847 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.28 -42.78 99.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.557 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 79.8 mt -60.08 -43.25 95.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.1 -42.96 95.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.47 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.33 -38.96 88.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.757 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.1 mt -62.37 -41.38 98.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.814 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.549 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 70.4 m80 -60.31 -39.7 87.94 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.493 ' O ' ' O ' ' A' ' 102' ' ' LYS . 80.7 tt0 -62.22 -39.4 92.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.225 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.88 -38.78 92.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.255 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.8 mt -63.88 -42.43 97.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.417 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.493 ' O ' ' O ' ' A' ' 99' ' ' GLU . 54.1 mtpt -94.26 142.48 27.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.57 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.547 -179.891 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' B' ' 2' ' ' GLU . 59.1 mp0 -67.28 144.57 55.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.542 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' B' ' 6' ' ' GLU . 22.4 pt-20 -62.42 -36.8 83.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.436 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' B' ' 3' ' ' GLU . 65.3 mt -38.89 -32.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.474 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -64.4 -47.21 80.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.91 0.386 . . . . 0.0 110.366 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.8 tt0 -67.13 -36.19 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.211 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.13 -42.44 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.358 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.11 -44.95 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.872 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mtp -59.49 -41.91 90.92 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.23 -42.37 97.92 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.6 mt -63.46 -42.84 98.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.308 . . . . 0.0 110.342 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.419 HG12 ' HD1' ' B' ' 80' ' ' HIS . 94.8 mt -63.21 -44.85 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.763 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.405 HG23 HD12 ' B' ' 13' ' ' ILE . 87.0 mt -63.03 -44.43 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.926 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -61.3 -45.24 95.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.854 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.502 ' OG ' ' OG ' ' B' ' 84' ' ' SER . 11.6 t -60.22 -45.33 93.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.109 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.47 -42.21 99.06 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.41 -45.41 91.12 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.53 -48.43 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.945 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.25 -45.68 93.52 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.71 -44.78 81.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.61 -41.71 97.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.741 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.78 -48.58 77.57 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.415 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 21.8 m-85 -59.87 -41.26 91.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.685 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.58 93.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.758 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.73 87.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.664 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.21 -44.75 96.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.31 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -55.21 -42.11 72.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.31 -41.54 97.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.89 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.32 92.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.703 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.71 -29.62 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.062 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -79.49 -4.85 53.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.88 11.8 80.86 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -94.92 80.56 3.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 110.341 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.32 -35.21 80.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.592 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -51.41 67.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.025 0.44 . . . . 0.0 110.786 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.37 -35.25 79.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.394 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.61 75.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.528 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.64 -41.48 95.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.538 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.53 96.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.582 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.4 mmm -64.73 -42.04 95.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 99.6 mmm -63.43 -40.47 97.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.533 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -61.75 -45.46 93.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.494 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.16 -40.39 97.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.338 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.0 t -61.41 -45.91 92.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.491 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.712 ' NH2' HH12 ' B' ' 88' ' ' ARG . 62.7 ttm-85 -60.39 -42.66 96.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.273 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.44 -42.98 99.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.301 0.572 . . . . 0.0 110.66 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.27 96.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.136 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.2 -39.89 93.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.724 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -61.17 -41.49 96.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.393 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.99 -40.09 94.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.156 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.97 79.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.454 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -62.29 -38.29 88.81 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.339 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.38 -43.32 99.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.327 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.23 -43.68 95.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.012 0.434 . . . . 0.0 109.921 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.593 HE22 ' CG1' ' B' ' 59' ' ' ILE . 8.1 tm0? -60.87 -43.04 98.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.232 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -56.66 -43.31 80.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.935 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.38 -38.72 90.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.883 0.373 . . . . 0.0 110.557 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.6 -28.49 69.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.593 ' CG1' HE22 ' B' ' 55' ' ' GLN . 71.9 mt -90.04 -31.75 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.54 -8.96 59.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.9 -170.63 9.92 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' B' ' 63' ' ' ALA . 67.4 t0 -63.33 141.73 58.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.574 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.568 ' N ' ' OD1' ' B' ' 62' ' ' ASP . . . -61.4 144.2 54.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.413 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' B' ' 67' ' ' LYS . . . -67.2 159.9 49.4 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.592 ' C ' ' H ' ' B' ' 67' ' ' LYS . 14.2 pt-20 -65.66 127.67 32.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 110.663 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.05 -29.8 0.3 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.592 ' H ' ' C ' ' B' ' 65' ' ' GLU . 99.5 mttt -101.03 146.0 27.99 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.603 0.24 . . . . 0.0 110.486 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -75.92 -116.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.611 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -97.54 -15.76 20.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -98.1 114.69 36.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.821 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.461 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 95.6 p -130.43 164.22 25.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.566 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 38.0 mt -60.08 -43.53 95.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.531 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.59 -46.82 93.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 -178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.461 ' H ' ' HG ' ' B' ' 71' ' ' SER . 91.4 mt -64.18 -40.91 97.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.44 -47.18 91.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.261 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.49 -44.57 93.05 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.345 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.5 90.74 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.854 0.359 . . . . 0.0 110.329 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.91 -39.84 95.76 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 43.7 tp -57.56 -46.93 83.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.394 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.419 ' HD1' HG12 ' B' ' 12' ' ' ILE . 45.1 m170 -67.46 -46.78 72.04 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.764 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.93 -46.25 90.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.47 -44.41 97.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.203 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 21.1 p -62.86 -47.3 83.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.149 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.502 ' OG ' ' OG ' ' B' ' 15' ' ' SER . 67.3 m -61.55 -48.29 81.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.651 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -57.91 -48.3 80.29 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.445 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.47 -45.21 95.21 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.131 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.53 84.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.897 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.712 HH12 ' NH2' ' B' ' 45' ' ' ARG . 1.9 tmt_? -58.17 -45.92 86.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.218 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.424 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -61.29 -43.26 99.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.12 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.7 -43.02 97.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.055 0.455 . . . . 0.0 110.011 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.3 mt -60.99 -42.26 92.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.206 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 17.8 m -57.05 -46.13 82.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.005 0.431 . . . . 0.0 109.886 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.52 -42.97 98.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.536 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.53 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 81.1 mt -59.64 -43.54 93.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.77 -43.15 94.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.518 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.27 -38.92 88.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.743 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 33.1 mt -62.6 -41.11 98.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.835 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.0 m80 -60.35 -39.72 88.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.498 ' O ' ' O ' ' B' ' 102' ' ' LYS . 80.7 tt0 -62.32 -39.66 93.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.087 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.7 -39.1 93.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.143 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.0 mt -63.4 -42.32 98.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.38 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.498 ' O ' ' O ' ' B' ' 99' ' ' GLU . 53.8 mtpt -94.54 142.3 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.563 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.54 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' C' ' 2' ' ' GLU . 59.3 mp0 -67.05 144.75 55.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.596 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' C' ' 6' ' ' GLU . 22.5 pt-20 -62.37 -36.98 83.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.373 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' C' ' 3' ' ' GLU . 64.6 mt -38.69 -32.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.439 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.53 -47.27 79.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.409 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.4 tt0 -66.88 -36.6 82.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.294 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.85 -42.61 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.328 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.95 -44.98 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.126 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.9 mtp -59.3 -42.01 90.31 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.22 -42.26 97.98 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 34.9 mt -63.48 -42.88 98.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 110.388 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.411 HG12 ' HD1' ' C' ' 80' ' ' HIS . 93.7 mt -63.23 -44.55 99.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.648 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.21 -44.45 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.002 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -61.2 -45.26 95.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.8 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' SER . . . . . 0.497 ' OG ' ' OG ' ' C' ' 84' ' ' SER . 11.7 t -60.38 -45.12 94.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.145 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.4 -42.58 99.05 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.106 -1.197 . . . . 0.0 110.106 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.33 -45.12 92.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.82 79.98 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.92 -45.79 93.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.57 -45.15 81.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.04 -41.88 97.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.688 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.9 -48.44 78.2 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.424 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.8 m-85 -60.07 -41.12 91.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.591 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.54 93.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.742 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.81 87.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.567 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.05 -44.62 97.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.43 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -55.57 -41.95 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.39 -41.04 96.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.927 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.21 93.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.754 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.4 -29.18 70.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.039 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.6 -4.74 52.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.528 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.96 12.09 80.24 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.18 80.79 3.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.756 0.312 . . . . 0.0 110.247 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.51 -35.19 80.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.535 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.28 -51.45 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.059 0.457 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.28 79.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.402 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.44 76.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.507 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.7 -41.71 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.582 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.21 94.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.778 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.03 -42.17 94.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.551 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 99.4 mmm -63.38 -40.22 96.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.61 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -61.89 -45.17 94.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.895 0.379 . . . . 0.0 110.46 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.31 -40.38 97.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 39.0 t -61.7 -45.91 91.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.562 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.709 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.7 ttm-85 -60.53 -41.98 95.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.303 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.9 -43.15 99.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.336 0.588 . . . . 0.0 110.554 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.46 98.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.31 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.13 -39.73 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.776 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -61.54 -41.17 96.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.358 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.17 -40.54 94.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.99 0.424 . . . . 0.0 110.056 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.35 -45.42 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.442 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -61.66 -38.6 88.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.45 -43.01 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.324 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 77.7 t -65.37 -43.45 94.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.033 0.444 . . . . 0.0 109.985 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.581 HE22 ' CG1' ' C' ' 59' ' ' ILE . 7.8 tm0? -60.91 -43.26 98.79 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.291 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.8 m -56.43 -43.24 79.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.125 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.65 -38.36 90.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.883 0.373 . . . . 0.0 110.482 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.6 mt -63.74 -28.47 69.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.805 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.581 ' CG1' HE22 ' C' ' 55' ' ' GLN . 71.6 mt -90.21 -31.57 5.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.58 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.8 mm-40 -81.62 -9.0 59.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.2 -170.2 10.44 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.581 ' OD1' ' N ' ' C' ' 63' ' ' ALA . 67.5 t0 -63.71 141.98 58.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.876 0.369 . . . . 0.0 110.463 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . 0.581 ' N ' ' OD1' ' C' ' 62' ' ' ASP . . . -61.54 144.01 55.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.428 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' C' ' 67' ' ' LYS . . . -67.16 159.7 49.52 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . 0.599 ' C ' ' H ' ' C' ' 67' ' ' LYS . 14.2 pt-20 -65.43 127.82 33.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.53 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.86 -29.79 0.29 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.599 ' H ' ' C ' ' C' ' 65' ' ' GLU . 99.5 mttt -101.05 145.9 28.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.656 0.265 . . . . 0.0 110.546 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 78.2 mtm -75.86 -116.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.607 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -97.31 -15.55 20.71 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -98.0 114.23 34.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.773 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.456 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 95.8 p -129.18 166.63 18.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.488 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.2 mt -61.98 -42.69 99.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.706 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.85 -47.3 88.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 130.072 3.349 . . . . 0.0 110.589 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' C' ' 71' ' ' SER . 90.9 mt -66.09 -40.94 91.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.059 0.456 . . . . 0.0 110.926 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.54 -47.48 90.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.226 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.54 -44.71 93.14 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.305 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.34 -44.72 90.6 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.913 0.387 . . . . 0.0 110.456 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -62.84 -39.99 96.05 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.285 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 43.2 tp -57.21 -47.13 82.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.528 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.411 ' HD1' HG12 ' C' ' 12' ' ' ILE . 45.2 m170 -67.23 -47.05 71.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.767 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 55.6 mt -62.0 -45.96 91.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.82 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.67 -44.04 97.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.372 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.3 p -63.25 -47.18 83.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.179 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.497 ' OG ' ' OG ' ' C' ' 15' ' ' SER . 66.6 m -61.76 -48.07 82.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -58.12 -48.25 80.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.711 0.291 . . . . 0.0 110.462 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.54 -45.17 95.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.168 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.87 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.908 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.709 HH12 ' NH2' ' C' ' 45' ' ' ARG . 1.9 tmt_? -57.88 -45.89 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.238 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.25 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.134 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.78 -42.73 97.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.174 0.512 . . . . 0.0 110.009 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . 0.443 HD12 HG22 ' C' ' 91' ' ' ILE . 77.9 mt -61.12 -42.35 92.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.408 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.551 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 17.9 m -56.86 -46.05 82.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.048 0.451 . . . . 0.0 109.939 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.76 -43.01 97.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.557 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.6 mt -59.5 -43.32 93.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.506 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.09 -42.98 95.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.578 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -61.3 -38.84 88.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.738 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 33.2 mt -62.46 -41.43 98.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.851 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 70.4 m80 -60.24 -39.99 88.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.716 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.504 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.3 tt0 -62.06 -39.36 92.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.127 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.72 -39.18 93.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.192 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.62 -42.24 98.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.415 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.504 ' O ' ' O ' ' C' ' 99' ' ' GLU . 53.8 mtpt -94.45 142.48 27.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.444 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.525 179.909 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.516 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 121.845 0.831 . . . . 0.0 109.002 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.84 143.07 36.61 Favored 'General case' 0 C--N 1.288 -2.109 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.08 156.27 38.39 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.067 -1.02 . . . . 0.0 109.552 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.24 28.58 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.28 19.01 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.087 -1.008 . . . . 0.0 108.439 178.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.31 19.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.66 136.58 36.99 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.117 0.96 . . . . 0.0 110.186 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.87 114.3 24.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.9 -4.28 19.33 Favored 'General case' 0 C--N 1.264 -3.125 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.899 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.59 141.77 85.54 Favored Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 119.765 -1.835 . . . . 0.0 110.618 178.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.45 -47.65 12.82 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 124.748 3.632 . . . . 0.0 114.146 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.542 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.1 m-20 -102.13 27.54 6.56 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 116.055 -2.258 . . . . 0.0 108.811 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.2 -142.25 47.71 Favored Glycine 0 N--CA 1.497 2.722 0 C-N-CA 117.611 -2.233 . . . . 0.0 109.618 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.1 tp -90.64 75.07 6.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.972 -1.311 . . . . 0.0 109.491 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.58 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.7 p80 -68.72 175.63 3.45 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 117.908 -1.517 . . . . 0.0 112.102 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 12.7 p -39.35 -66.19 0.31 Allowed 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 117.337 2.347 . . . . 0.0 117.337 -177.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.439 ' N ' ' OG1' ' D' ' 316' ' ' THR . 1.8 tmm_? -56.56 -52.27 74.71 Favored Pre-proline 0 N--CA 1.492 1.668 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.565 -177.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.36 -32.25 61.24 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 C-N-CA 120.753 0.969 . . . . 0.0 111.492 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.95 -38.91 86.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.237 -0.914 . . . . 0.0 109.449 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.93 -39.71 72.5 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.91 -39.48 94.27 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 118.002 -1.479 . . . . 0.0 109.459 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.546 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.71 -45.27 93.52 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 122.596 1.188 . . . . 0.0 108.715 -177.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . 0.611 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.5 t -62.69 -42.25 95.4 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.276 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.651 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . 0.418 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 97.3 mttt -63.86 -40.28 96.2 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.181 -0.949 . . . . 0.0 109.812 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.467 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.77 -39.73 80.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.474 -0.766 . . . . 0.0 109.528 177.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.0 91.7 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.627 -1.296 . . . . 0.0 109.399 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . 0.611 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.8 mttp -61.31 -16.23 43.65 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.237 -0.915 . . . . 0.0 113.388 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.58 86.12 Favored Glycine 0 N--CA 1.479 1.54 0 O-C-N 119.895 -1.753 . . . . 0.0 109.247 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.402 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.5 143.35 32.83 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.183 -1.775 . . . . 0.0 110.004 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.2 p -75.6 -30.14 59.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.238 -0.914 . . . . 0.0 112.284 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.69 158.59 9.94 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.769 -1.832 . . . . 0.0 112.85 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.575 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.03 130.32 35.39 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 102.736 -3.061 . . . . 0.0 102.736 171.314 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.74 136.58 60.38 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 CA-C-O 122.191 0.996 . . . . 0.0 109.299 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.405 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.6 m -124.95 143.23 50.99 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 123.104 1.431 . . . . 0.0 109.963 178.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.405 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.11 129.95 61.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.731 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 173.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.46 119.54 26.34 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.812 -1.18 . . . . 0.0 108.942 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.58 122.63 39.32 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.902 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.7 39.04 24.44 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.808 -1.182 . . . . 0.0 112.751 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.56 11.06 83.59 Favored Glycine 0 N--CA 1.502 3.065 0 O-C-N 119.903 -1.748 . . . . 0.0 112.55 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.79 158.54 33.09 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-O 123.799 1.761 . . . . 0.0 112.408 -175.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.38 Favored 'General case' 0 C--N 1.279 -2.48 0 CA-C-N 112.484 -2.144 . . . . 0.0 108.613 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.661 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.61 135.97 48.84 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 173.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.02 -6.73 47.43 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.758 -1.214 . . . . 0.0 110.686 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.661 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.48 12.98 31.47 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.622 -1.299 . . . . 0.0 109.392 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 68.4 m -133.05 104.14 6.38 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 122.114 0.959 . . . . 0.0 110.169 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.7 tp -57.24 -37.95 73.05 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.944 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -58.85 -51.33 70.46 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.595 -1.316 . . . . 0.0 113.044 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.44 70.51 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 119.522 -1.986 . . . . 0.0 109.204 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.81 -33.69 75.75 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.951 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.547 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 67.8 tp60 -67.62 -10.54 53.07 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.647 -0.658 . . . . 0.0 109.907 -177.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 3.2 p -89.73 -7.81 53.68 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 118.123 -1.431 . . . . 0.0 110.926 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . 0.472 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.4 mt -93.34 159.25 15.34 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.194 -0.941 . . . . 0.0 110.202 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.87 2.97 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 106.845 -2.502 . . . . 0.0 106.845 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 91.1 mt -119.64 47.37 1.73 Allowed 'General case' 0 C--N 1.309 -1.173 0 O-C-N 120.702 -1.47 . . . . 0.0 107.459 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 3.7 p -81.41 172.49 13.48 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.224 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -60.66 140.91 57.28 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.872 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.45 -3.22 78.9 Favored Glycine 0 N--CA 1.5 2.947 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.358 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.4 135.88 34.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.909 -1.348 . . . . 0.0 110.609 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.7 t -96.39 123.72 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 106.376 -1.712 . . . . 0.0 106.376 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.22 160.03 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 C-N-CA 117.385 -1.726 . . . . 0.0 110.625 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.6 m -108.85 128.43 54.9 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.484 -1.385 . . . . 0.0 107.569 175.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.87 121.37 60.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.24 50.7 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.5 47.23 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 118.489 -1.284 . . . . 0.0 109.732 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.3 110.84 6.42 Favored 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 118.455 -1.298 . . . . 0.0 107.972 178.217 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.32 40.12 Favored Glycine 0 C--N 1.296 -1.678 0 C-N-CA 118.02 -2.038 . . . . 0.0 110.368 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.42 -40.5 82.64 Favored 'General case' 0 C--N 1.277 -2.545 0 CA-C-N 114.406 -0.897 . . . . 0.0 112.229 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.05 36.73 3.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 118.99 -2.319 . . . . 0.0 108.553 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.57 65.83 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -174.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.486 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.65 27.64 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 119.512 -1.993 . . . . 0.0 110.979 -176.548 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.774 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.7 97.65 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.5 77.62 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 117.458 -1.697 . . . . 0.0 110.056 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.87 -42.14 88.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 CA-C-O 122.122 0.963 . . . . 0.0 109.265 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.93 -47.82 76.84 Favored 'General case' 0 C--N 1.287 -2.138 0 CA-C-O 122.096 0.951 . . . . 0.0 108.785 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.774 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.83 -38.35 76.49 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.669 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.8 mt -75.61 -28.57 58.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.355 -1.466 . . . . 0.0 110.923 -174.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.49 70.78 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 N-CA-C 106.336 -1.728 . . . . 0.0 106.336 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.9 -49.19 63.33 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.467 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.24 84.45 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.474 177.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.33 -37.35 85.25 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.858 -1.151 . . . . 0.0 111.56 -177.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.99 -31.76 61.51 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.007 -1.058 . . . . 0.0 110.242 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.9 -32.3 45.69 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.47 -0.769 . . . . 0.0 111.337 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.0 125.45 12.1 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 124.282 1.992 . . . . 0.0 112.952 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.899 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.6 mt-10 . . . . . 0 C--N 1.276 -2.61 0 CA-C-N 111.16 -2.745 . . . . 0.0 110.097 -177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.07 140.71 58.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.559 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 6' ' ' GLU . 48.8 tp10 -61.6 136.37 57.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.491 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 3' ' ' GLU . 58.0 mt -37.85 -37.1 0.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.454 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.19 -46.1 82.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.922 0.391 . . . . 0.0 110.322 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.8 mt-10 -68.39 -34.9 76.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.261 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.25 -42.58 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.384 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.4 t -61.45 -43.44 96.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.943 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.3 mtp -58.38 -42.16 86.44 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.03 -41.96 98.37 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.92 -43.06 99.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.845 0.355 . . . . 0.0 110.201 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.6 mt -62.84 -44.45 99.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.742 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.418 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 90.5 mt -63.47 -44.49 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.966 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' A' ' 14' ' ' ASN . 46.8 t-20 -61.43 -45.65 93.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.812 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -60.65 -44.69 96.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.009 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.29 -43.22 98.77 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.7 -43.67 95.93 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.82 -49.77 75.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.827 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.27 -46.81 88.52 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -54.61 -44.21 72.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.47 -42.26 98.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.774 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.5 -50.31 74.41 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.87 -42.24 93.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.577 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.53 92.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.815 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.37 -42.42 86.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.646 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.26 -45.18 95.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.455 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.53 -42.34 74.45 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.46 -41.65 94.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.848 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.31 93.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.771 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.54 -29.39 69.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.114 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -79.89 -4.85 54.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.485 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.29 74.77 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.84 80.36 3.02 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.759 0.314 . . . . 0.0 110.277 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -64.24 -35.01 79.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.69 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.12 80.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.981 0.419 . . . . 0.0 110.698 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.54 81.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.11 80.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.56 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -62.38 -42.36 99.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.569 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.74 99.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.793 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.8 mmm -64.93 -40.45 95.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.545 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.66 -39.94 95.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.65 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.9 -44.63 96.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.986 0.422 . . . . 0.0 110.593 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.69 -40.35 96.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.175 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -60.56 -46.1 91.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.494 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.16 -42.03 94.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.308 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 61.3 mtt -61.82 -42.61 99.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.2 93.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.205 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.62 -40.29 95.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.693 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.91 -41.88 96.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.298 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.17 -39.95 93.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.214 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.69 -45.38 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.504 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -61.74 -38.29 87.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.416 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -60.62 -43.78 97.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.55 -43.11 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.469 . . . . 0.0 110.022 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -60.44 -43.99 96.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.267 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -57.08 -42.81 81.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.974 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.42 -39.96 89.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.575 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -69.68 -40.56 76.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.62 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.42 -40.51 84.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.819 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.51 -12.34 58.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.503 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.69 -19.94 35.93 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -90.17 112.98 24.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.583 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.45 137.88 58.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 67' ' ' LYS . . . -106.77 4.14 36.48 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.593 ' C ' ' H ' ' A' ' 67' ' ' LYS . 85.0 tt0 -64.13 126.48 27.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.685 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.88 -35.41 0.23 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.593 ' H ' ' C ' ' A' ' 65' ' ' GLU . 30.6 mmtp -94.66 151.68 19.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.718 0.294 . . . . 0.0 110.45 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' LYS . 4.6 mpp? -46.93 156.16 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.65 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 68' ' ' MET . 98.2 mttt -33.25 -92.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 m -87.68 -149.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.675 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.6 p -135.89 171.61 14.21 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.32 -44.63 84.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.6 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.1 t -62.39 -45.04 99.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.878 0.37 . . . . 0.0 110.559 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.06 -39.5 90.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.055 0.455 . . . . 0.0 110.867 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 56.8 t -59.94 -47.23 92.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.194 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -57.92 -46.46 84.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.41 98.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.684 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.609 HE22 ' CE1' ' B' ' 80' ' ' HIS . 59.3 tt0 -62.96 -39.69 95.43 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.141 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.7 tp -57.42 -46.77 83.16 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.359 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -67.38 -47.29 70.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.733 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.81 -45.35 94.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.767 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.98 -43.58 98.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.223 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.9 p -63.06 -47.67 81.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.11 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.9 t -61.8 -49.29 76.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.42 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -58.34 -48.03 81.85 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.519 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.02 -44.36 96.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.036 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.24 82.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.769 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.6 ttt-85 -58.47 -44.13 89.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.132 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.49 ' O ' ' OE2' ' A' ' 93' ' ' GLU . 78.1 mm-40 -60.28 -44.98 94.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.089 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.64 -42.14 95.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.093 0.473 . . . . 0.0 109.871 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.52 -41.91 89.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.317 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 m -57.8 -45.7 85.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.461 . . . . 0.0 109.939 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' OE2' ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -63.32 -43.16 98.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.586 179.038 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 40.3 mt -59.4 -43.9 92.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.42 HD13 HG22 ' A' ' 95' ' ' ILE . 90.9 mt -61.65 -43.19 96.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.514 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.81 -41.45 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.0 mt -62.55 -42.58 99.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.854 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 60.9 m80 -60.62 -41.52 95.01 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 102' ' ' LYS . 83.3 tt0 -65.05 -38.49 91.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.171 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -64.42 -40.14 95.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.218 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.18 -42.03 96.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.382 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.3 mttt -91.48 141.86 28.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.432 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.575 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.524 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.47 140.67 58.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.554 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 6' ' ' GLU . 49.9 tp10 -61.3 136.48 58.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.469 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' B' ' 3' ' ' GLU . 58.1 mt -37.96 -37.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.32 -46.09 81.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.326 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.5 mt-10 -68.11 -34.98 77.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.123 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.59 -42.35 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.355 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.403 ' HB ' ' HZ2' ' A' ' 69' ' ' LYS . 84.9 t -61.76 -43.07 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.406 ' CG ' ' HZ3' ' A' ' 69' ' ' LYS . 91.3 mtp -58.64 -42.16 87.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.19 -41.84 98.18 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.9 -43.04 99.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.717 0.294 . . . . 0.0 110.347 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.99 -44.53 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.665 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.38 -44.58 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.921 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -61.13 -46.0 92.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.824 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.44 -44.64 95.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.145 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.33 -43.42 98.41 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.24 -43.88 96.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.75 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.905 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.19 -46.95 87.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m -54.37 -44.09 71.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.77 -42.7 97.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.642 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.03 -50.44 74.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.7 -42.43 93.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.662 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.72 91.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.773 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.57 86.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.671 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.23 -45.27 95.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.265 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.66 -42.18 74.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.217 0.532 . . . . 0.0 109.582 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.63 -41.54 95.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.931 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.32 93.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.763 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.54 -29.38 69.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.072 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -80.05 -4.73 53.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.377 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.1 12.94 75.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.38 80.42 3.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.762 0.315 . . . . 0.0 110.292 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -64.48 -34.89 79.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.582 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.92 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.032 0.444 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.6 81.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.389 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.5 79.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.577 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.93 -42.67 99.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.569 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.74 99.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.708 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.19 -40.63 94.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.26 -40.27 96.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.588 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.81 -44.5 96.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.438 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.6 -40.27 96.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.307 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -60.84 -45.82 93.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.56 -41.81 95.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.275 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.74 -42.59 99.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.275 0.56 . . . . 0.0 110.625 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.98 93.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.18 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.99 -40.29 94.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.713 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.68 -41.8 95.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.41 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.27 -40.27 93.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.128 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.45 -45.31 80.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.466 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.55 -38.81 88.81 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.254 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.42 -43.25 96.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.389 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 74.8 t -66.17 -43.19 92.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.075 0.464 . . . . 0.0 109.962 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -60.44 -43.97 96.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m -56.69 -43.19 80.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.976 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.27 -40.05 89.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.895 0.378 . . . . 0.0 110.552 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.66 -40.13 76.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.736 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.412 HD12 HG23 ' B' ' 59' ' ' ILE . 96.7 mt -67.78 -40.54 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.764 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.46 -12.12 59.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.567 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.69 -20.51 34.09 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -89.76 112.76 24.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 110.55 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.24 137.8 58.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.463 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' B' ' 67' ' ' LYS . . . -106.96 4.49 36.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.589 ' C ' ' H ' ' B' ' 67' ' ' LYS . 84.9 tt0 -64.24 126.38 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.593 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.08 -35.62 0.24 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.589 ' H ' ' C ' ' B' ' 65' ' ' GLU . 30.4 mmtp -94.61 151.82 19.01 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.65 0.262 . . . . 0.0 110.465 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' MET . . . . . 0.456 ' O ' ' C ' ' B' ' 69' ' ' LYS . 4.6 mpp? -47.13 156.46 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.602 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' B' ' 68' ' ' MET . 98.3 mttt -33.53 -91.76 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.4 m -86.15 -150.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.795 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 47.0 p -135.86 172.61 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tt -59.5 -44.47 93.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.562 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 64.5 t -61.68 -44.14 98.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.64 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.47 -39.14 89.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.095 0.474 . . . . 0.0 110.989 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.1 -47.67 91.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.273 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.55 -46.18 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.75 99.29 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.824 0.345 . . . . 0.0 110.412 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.604 HE22 ' CE1' ' C' ' 80' ' ' HIS . 59.0 tt0 -62.66 -39.43 93.88 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.282 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 39.3 tp -57.62 -46.74 83.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.416 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.609 ' CE1' HE22 ' A' ' 78' ' ' GLN . 77.7 m80 -67.34 -47.38 70.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.719 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.7 -45.5 93.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.813 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.92 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.262 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.1 p -63.35 -47.06 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.23 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 5.3 t -62.25 -49.19 76.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.608 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -58.57 -47.72 83.32 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.777 0.323 . . . . 0.0 110.506 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.21 -44.33 96.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.17 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.76 -46.8 84.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.823 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -58.77 -44.26 90.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.214 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' B' ' 93' ' ' GLU . 77.3 mm-40 -59.98 -45.38 92.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.167 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.11 -42.26 96.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.139 0.495 . . . . 0.0 110.061 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 79.0 mt -60.5 -41.92 89.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.308 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 18.8 m -57.75 -45.82 85.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.048 0.451 . . . . 0.0 109.797 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . 0.476 ' OE2' ' O ' ' B' ' 89' ' ' GLU . 0.8 OUTLIER -63.15 -43.27 98.77 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.159 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.548 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 41.3 mt -59.47 -44.06 93.1 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.426 HD13 HG22 ' B' ' 95' ' ' ILE . 92.6 mt -61.54 -43.23 96.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.526 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.67 -41.63 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 mt -62.53 -42.69 99.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.804 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.548 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 60.7 m80 -60.19 -41.81 93.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.052 0.453 . . . . 0.0 109.793 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.495 ' O ' ' O ' ' B' ' 102' ' ' LYS . 83.6 tt0 -64.92 -38.48 91.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.153 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -64.47 -40.16 95.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.169 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.98 -42.32 97.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.389 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.2 mttt -91.33 142.03 28.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.549 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.383 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.545 -179.851 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.43 140.16 58.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.661 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' C' ' 6' ' ' GLU . 50.5 tp10 -60.87 136.53 58.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.354 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' C' ' 3' ' ' GLU . 57.7 mt -37.96 -37.32 0.25 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.371 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.0 -46.21 82.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.833 0.349 . . . . 0.0 110.386 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.5 mt-10 -68.22 -34.62 76.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.292 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.68 -42.55 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.389 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.53 -43.04 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.069 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' MET . . . . . 0.418 ' CG ' ' HZ3' ' B' ' 69' ' ' LYS . 91.7 mtp -58.7 -42.3 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.86 -41.81 98.65 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.91 -43.24 99.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 0.0 110.353 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.97 -44.23 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.646 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.417 HG22 HD11 ' C' ' 13' ' ' ILE . 90.3 mt -63.31 -44.53 99.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -61.58 -45.76 92.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.784 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -60.56 -44.69 95.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.15 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.1 99.13 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.72 -43.74 95.65 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.76 75.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.799 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.41 -46.79 88.75 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 48.9 m -54.63 -44.32 73.08 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.3 -42.42 99.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.737 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.63 -50.14 75.02 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.81 -42.68 94.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.508 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.41 91.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.705 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.34 87.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.574 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.38 -44.95 96.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.387 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.05 -41.97 75.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.534 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.57 -41.56 94.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.96 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.55 93.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.852 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.3 -29.65 70.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.068 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -79.62 -4.73 52.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.471 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.23 74.93 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.73 80.86 3.1 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.736 0.303 . . . . 0.0 110.327 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -64.71 -34.78 79.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.539 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.39 79.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.443 . . . . 0.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.18 80.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.415 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -48.14 79.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.492 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -61.99 -42.73 99.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.551 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.05 -42.69 99.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.776 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.22 -40.56 94.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 91.6 mmm -63.26 -40.48 97.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.625 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.47 -44.78 96.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.934 0.397 . . . . 0.0 110.456 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.67 -40.12 96.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -60.62 -46.07 91.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.491 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.26 -42.0 94.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.335 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.77 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.307 0.575 . . . . 0.0 110.575 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.93 95.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.3 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 92.3 mt -65.09 -40.46 94.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.731 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.78 -41.91 96.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.331 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.13 -40.04 93.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.024 0.44 . . . . 0.0 110.031 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.58 -45.67 78.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.411 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.542 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 60.1 t-80 -61.32 -38.63 87.57 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.364 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.62 -43.37 97.55 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.323 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 74.4 t -65.81 -43.42 93.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.024 0.44 . . . . 0.0 109.932 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -60.28 -44.01 95.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -56.93 -42.68 80.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.185 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.7 -39.63 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.542 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.87 -40.23 75.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.74 -40.49 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.826 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.547 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -81.48 -12.15 58.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.456 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.79 -20.01 35.4 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -90.19 112.45 23.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.797 0.332 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.98 137.72 58.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.472 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' C' ' 67' ' ' LYS . . . -106.87 4.56 36.33 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . 0.593 ' C ' ' H ' ' C' ' 67' ' ' LYS . 84.7 tt0 -64.3 126.28 27.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.577 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.07 -35.54 0.24 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.593 ' H ' ' C ' ' C' ' 65' ' ' GLU . 30.6 mmtp -94.28 151.55 19.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.656 0.265 . . . . 0.0 110.565 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' MET . . . . . 0.456 ' O ' ' C ' ' C' ' 69' ' ' LYS . 4.6 mpp? -46.99 156.79 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.587 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' C' ' 68' ' ' MET . 98.4 mttt -34.02 -91.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 16.3 m -86.07 -151.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.767 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 37.9 p -134.79 174.92 10.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.503 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.96 -45.12 93.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.699 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 65.2 t -62.2 -44.71 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 129.996 3.319 . . . . 0.0 110.615 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.11 -39.11 93.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.099 0.476 . . . . 0.0 111.073 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.28 -47.97 90.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.201 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.95 -45.84 86.03 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.292 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.46 99.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.885 0.374 . . . . 0.0 110.399 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -62.97 -39.23 94.07 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.234 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 39.2 tp -57.77 -46.85 83.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.474 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.604 ' CE1' HE22 ' B' ' 78' ' ' GLN . 77.8 m80 -67.32 -47.32 70.88 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.762 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.67 -45.71 92.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.888 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -61.47 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.385 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.6 p -63.43 -47.44 81.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.192 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -61.46 -49.65 75.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -58.2 -48.21 81.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.499 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.78 -44.42 96.92 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.159 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -46.94 83.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.864 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -58.68 -44.5 90.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.191 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . 0.506 ' O ' ' OE2' ' C' ' 93' ' ' GLU . 77.6 mm-40 -59.64 -45.44 91.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.908 0.385 . . . . 0.0 110.194 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.31 -42.35 96.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 109.999 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . 0.414 HD11 HG21 ' C' ' 91' ' ' ILE . 77.2 mt -60.18 -42.16 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.417 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 18.2 m -57.52 -45.68 84.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.551 -0.459 . . . . 0.0 109.944 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . 0.506 ' OE2' ' O ' ' C' ' 89' ' ' GLU . 0.7 OUTLIER -63.34 -42.86 98.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.496 179.213 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.568 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 41.6 mt -59.84 -43.92 94.36 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.52 -43.47 96.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.592 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -60.26 -41.68 93.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.723 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.38 -42.65 99.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.942 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.568 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 60.5 m80 -60.68 -41.4 95.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.5 tt0 -65.1 -38.63 91.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.093 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -64.15 -40.45 96.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.233 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.95 -42.37 97.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.314 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.5 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.2 mttt -91.13 141.39 28.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.507 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.564 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.507 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 121.923 0.868 . . . . 0.0 108.945 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.79 143.03 36.7 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.24 38.4 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.031 -1.043 . . . . 0.0 109.576 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.36 18.92 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.97 -1.082 . . . . 0.0 108.414 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.89 144.33 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.66 136.57 37.0 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 122.138 0.971 . . . . 0.0 110.113 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.41 25.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.95 -4.4 19.14 Favored 'General case' 0 C--N 1.264 -3.146 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.911 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.44 141.79 85.95 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 119.678 -1.889 . . . . 0.0 110.587 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -45.48 -47.68 12.83 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 124.795 3.663 . . . . 0.0 114.131 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -102.15 27.55 6.56 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 116.117 -2.233 . . . . 0.0 108.71 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.08 -145.46 43.99 Favored Glycine 0 N--CA 1.496 2.685 0 C-N-CA 117.67 -2.205 . . . . 0.0 109.645 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.3 tp -88.62 79.45 7.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.899 -1.353 . . . . 0.0 109.56 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -75.76 177.24 7.03 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 117.876 -1.53 . . . . 0.0 112.136 -178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 43.1 p -36.36 -68.65 0.13 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.536 ' NH2' ' OG ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -57.03 -52.44 74.08 Favored Pre-proline 0 N--CA 1.492 1.665 0 C-N-CA 120.136 -0.626 . . . . 0.0 112.538 -176.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.26 -32.18 62.42 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 CA-C-N 119.448 0.839 . . . . 0.0 111.571 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.03 -38.82 86.61 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.426 -0.91 . . . . 0.0 109.47 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.66 72.61 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -64.03 -39.3 93.78 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.964 -1.495 . . . . 0.0 109.48 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.552 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.78 -45.3 93.29 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.664 1.221 . . . . 0.0 108.693 -177.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.61 -42.29 95.41 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.63 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.93 -40.2 95.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.356 -0.84 . . . . 0.0 109.771 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.458 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.78 -39.75 80.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.394 -0.816 . . . . 0.0 109.543 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.04 91.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.612 -1.305 . . . . 0.0 109.384 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.3 -16.22 43.5 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.59 86.12 Favored Glycine 0 N--CA 1.479 1.528 0 O-C-N 119.88 -1.763 . . . . 0.0 109.262 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.4 143.34 32.83 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.289 -1.713 . . . . 0.0 110.036 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.2 p -75.64 -29.99 59.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.329 -0.857 . . . . 0.0 112.342 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.82 158.54 10.32 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 119.873 -1.767 . . . . 0.0 112.843 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.581 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.28 35.4 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 102.835 -3.024 . . . . 0.0 102.835 171.301 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.75 136.52 60.56 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 CA-C-O 122.257 1.027 . . . . 0.0 109.3 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.411 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.7 m -124.91 143.18 50.99 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-O 123.144 1.449 . . . . 0.0 109.983 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.411 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.1 129.88 61.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 173.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 69.7 m -127.39 119.66 26.69 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.882 -1.136 . . . . 0.0 108.967 -178.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.62 122.58 39.17 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.524 -0.735 . . . . 0.0 109.884 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.69 38.99 24.29 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.976 -1.078 . . . . 0.0 112.763 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 11.06 83.46 Favored Glycine 0 N--CA 1.502 3.039 0 O-C-N 119.941 -1.724 . . . . 0.0 112.469 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.9 136.28 54.56 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 105.21 -2.144 . . . . 0.0 105.21 177.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.78 158.51 33.16 Favored 'General case' 0 C--N 1.276 -2.593 0 CA-C-O 123.825 1.774 . . . . 0.0 112.442 -176.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.65 151.41 31.44 Favored 'General case' 0 C--N 1.28 -2.451 0 CA-C-N 112.417 -2.174 . . . . 0.0 108.527 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.668 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.56 136.0 48.94 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 173.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.03 -6.78 47.8 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.734 -1.229 . . . . 0.0 110.688 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.668 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.49 12.97 31.53 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.686 -1.259 . . . . 0.0 109.375 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 69.5 m -133.06 104.2 6.41 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 122.189 0.995 . . . . 0.0 110.191 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.27 -37.88 73.04 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.934 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . 0.463 ' CE2' ' OE2' ' A' ' 5' ' ' GLU . 57.6 m-85 -58.86 -51.43 70.06 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.571 -1.33 . . . . 0.0 113.054 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.02 -32.46 70.63 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 119.569 -1.957 . . . . 0.0 109.224 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.76 -33.77 75.86 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.96 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.602 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 66.3 tp60 -67.64 -10.44 52.17 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.653 -0.654 . . . . 0.0 109.951 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.6 p -89.75 -7.69 53.92 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 118.071 -1.451 . . . . 0.0 110.937 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.43 159.27 15.32 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.242 -0.911 . . . . 0.0 110.11 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.88 2.97 Favored Glycine 0 N--CA 1.486 2.004 0 N-CA-C 106.901 -2.479 . . . . 0.0 106.901 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.0 mt -119.54 47.29 1.74 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.728 -1.454 . . . . 0.0 107.4 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 5.0 p -81.45 172.61 13.31 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.22 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.74 140.94 57.38 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.837 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.21 79.03 Favored Glycine 0 N--CA 1.5 2.958 0 C-N-CA 120.014 -1.089 . . . . 0.0 111.395 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.48 135.91 34.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.955 -1.321 . . . . 0.0 110.664 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.5 123.73 48.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.7 m -112.17 160.06 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 117.419 -1.712 . . . . 0.0 110.65 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 91.8 m -108.85 128.37 54.85 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.487 -1.383 . . . . 0.0 107.592 175.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.84 121.41 60.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.34 50.71 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -179.591 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.83 153.38 47.05 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 118.496 -1.282 . . . . 0.0 109.712 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.507 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.76 6.42 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 118.593 -1.243 . . . . 0.0 108.084 178.19 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.31 40.17 Favored Glycine 0 C--N 1.296 -1.673 0 C-N-CA 118.067 -2.016 . . . . 0.0 110.404 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.41 -40.65 83.03 Favored 'General case' 0 C--N 1.276 -2.606 0 CA-C-N 114.392 -0.904 . . . . 0.0 112.146 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.95 36.72 3.56 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 115.921 -2.312 . . . . 0.0 108.667 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.52 65.82 Favored 'General case' 0 N--CA 1.521 3.076 0 N-CA-C 116.824 2.157 . . . . 0.0 116.824 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.467 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.65 27.45 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 119.578 -1.951 . . . . 0.0 110.953 -176.546 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.765 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.54 -40.66 97.6 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 178.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.59 77.29 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 117.551 -1.659 . . . . 0.0 109.972 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.85 -42.18 88.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-O 122.176 0.989 . . . . 0.0 109.286 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.86 -47.91 76.46 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-O 122.006 0.908 . . . . 0.0 108.776 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.765 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.74 -38.32 76.8 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.736 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.61 -28.69 58.96 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.426 -1.421 . . . . 0.0 110.835 -174.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.39 -39.49 71.72 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.454 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.2 63.24 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.458 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.19 84.36 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.98 -1.088 . . . . 0.0 110.547 177.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.38 -37.36 85.43 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.968 -1.083 . . . . 0.0 111.54 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.83 61.65 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.041 -1.037 . . . . 0.0 110.213 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.29 45.8 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.511 -0.743 . . . . 0.0 111.333 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.51 12.39 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 124.308 2.004 . . . . 0.0 112.923 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.911 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 14.2 pt-20 . . . . . 0 C--N 1.276 -2.594 0 CA-C-N 111.165 -2.743 . . . . 0.0 110.118 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.487 ' O ' ' CG2' ' A' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.408 ' H ' ' H2 ' ' A' ' 1' ' ' ALA . 97.5 mt-10 -67.4 -39.97 85.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 6' ' ' GLU . 83.6 tt0 -90.1 121.65 32.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.475 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 3' ' ' GLU . 95.1 mt -37.15 -32.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.391 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 3' ' ' GLU . 81.9 tt0 -63.73 -45.85 88.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.89 0.376 . . . . 0.0 110.273 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.8 mt-10 -65.39 -36.89 85.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.229 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 1' ' ' ALA . 94.7 t -63.47 -42.97 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.43 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.39 -46.42 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.931 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mtp -59.1 -41.0 87.08 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.54 -41.58 97.83 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.8 mt -63.77 -43.27 96.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.235 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.41 HG12 ' HD1' ' A' ' 80' ' ' HIS . 96.7 mt -63.46 -44.77 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.786 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.52 -44.17 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.99 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -61.73 -45.72 92.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.789 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 76.6 p -60.55 -44.29 96.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.977 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.35 98.39 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -62.91 -42.01 99.64 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.99 79.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.859 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -60.5 -47.21 87.15 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.536 ' OG ' ' NH2' ' D' ' 317' ' ' ARG . 49.9 m -53.67 -44.6 69.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.23 -42.26 99.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.654 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.21 -49.95 75.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -60.16 -42.55 95.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.588 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.45 89.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.733 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.57 84.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.727 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.22 -44.77 96.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.451 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.96 -42.38 76.15 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.74 -41.45 95.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.746 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.46 93.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.743 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.81 -28.76 69.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.169 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -80.72 -5.06 56.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.449 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.66 13.61 75.2 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.59 79.88 3.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.793 0.33 . . . . 0.0 110.3 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -65.28 -35.39 80.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.7 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -50.48 70.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.085 0.469 . . . . 0.0 110.783 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.71 80.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.43 79.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.599 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.29 -42.92 96.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.595 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.8 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.01 -41.3 95.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.465 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 99.0 mmm -63.44 -39.93 95.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.67 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.84 -44.49 95.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.994 0.426 . . . . 0.0 110.544 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.94 -40.93 97.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.277 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.5 t -61.64 -45.6 93.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -61.15 -42.25 98.21 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.313 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.94 -43.69 98.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.252 0.549 . . . . 0.0 110.627 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.4 99.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.218 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.06 -39.97 90.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.669 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.09 -42.58 94.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.238 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.05 -40.3 94.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.224 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.77 -45.06 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.479 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.63 -39.01 89.78 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.41 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.2 mt -60.57 -43.56 97.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.4 t -66.1 -43.5 92.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.076 0.465 . . . . 0.0 110.063 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 56' ' ' THR . 0.8 OUTLIER -61.42 -43.71 98.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.236 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.598 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 19.1 m -59.93 -42.2 93.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -59.6 -34.44 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.489 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.6 mt -70.92 -60.66 2.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.473 ' CD1' ' NE2' ' A' ' 55' ' ' GLN . 73.8 mt -56.81 -35.72 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.859 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -84.26 -12.61 54.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.524 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.54 -19.37 45.09 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -74.51 141.61 44.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 110.596 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.68 136.99 56.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.5 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.35 -9.83 49.78 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.581 ' C ' ' H ' ' A' ' 67' ' ' LYS . 79.0 mm-40 -85.87 118.95 25.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 110.719 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.25 -33.9 0.32 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.581 ' H ' ' C ' ' A' ' 65' ' ' GLU . 99.3 mttt -98.48 144.46 27.81 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.683 0.278 . . . . 0.0 110.438 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.0 mtt -79.86 150.71 30.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -83.72 -9.27 58.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p -108.93 128.57 64.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.689 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.477 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 85.6 p -134.21 167.58 20.43 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -56.93 -44.96 83.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.701 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.98 -48.18 87.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.865 0.364 . . . . 0.0 110.562 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.477 ' H ' ' HG ' ' A' ' 71' ' ' SER . 90.0 mt -63.27 -40.77 98.33 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.22 -47.66 89.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.094 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.89 -44.38 94.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.822 0.344 . . . . 0.0 110.328 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.67 -45.46 86.61 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.676 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.46 -40.57 97.06 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.181 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.8 tp -57.15 -46.82 82.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.41 ' HD1' HG12 ' A' ' 12' ' ' ILE . 50.5 m170 -67.49 -46.89 71.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.737 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.62 -45.33 94.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.806 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.98 -43.53 98.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.214 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 p -63.06 -47.02 84.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.089 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 m -61.64 -48.63 79.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.464 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.98 -48.31 80.38 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.676 0.274 . . . . 0.0 110.519 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.49 -44.79 96.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.0 110.064 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.08 -47.59 82.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.825 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -58.95 -44.78 91.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.082 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.89 -43.79 98.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.042 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.91 -42.53 94.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.127 0.489 . . . . 0.0 109.904 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.0 mt -60.47 -41.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.279 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 16.0 m -57.09 -45.75 83.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.026 0.441 . . . . 0.0 109.845 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.75 -43.67 95.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.664 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.521 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.5 mt -59.66 -44.04 93.73 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.405 HD12 HG23 ' A' ' 95' ' ' ILE . 91.8 mt -61.61 -43.56 97.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.525 179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -61.0 -39.78 91.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.125 0.488 . . . . 0.0 109.772 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.33 -41.47 98.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.822 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 61.7 m80 -60.4 -40.01 89.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 103' ' ' ALA . 84.4 tt0 -62.54 -39.56 94.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.252 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.476 ' HZ3' ' CD2' ' B' ' 98' ' ' HIS . 98.0 mttt -64.04 -39.23 93.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.19 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.5 mt -63.63 -42.35 98.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -93.71 -3.26 52.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.483 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.605 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.49 ' O ' ' CG2' ' B' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.435 ' H ' ' H2 ' ' B' ' 1' ' ' ALA . 97.4 mt-10 -67.2 -40.53 86.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' B' ' 6' ' ' GLU . 83.0 tt0 -89.51 121.98 32.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.441 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' B' ' 3' ' ' GLU . 96.1 mt -37.48 -32.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.527 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.462 ' H ' ' HG2' ' B' ' 3' ' ' GLU . 80.6 tt0 -63.72 -45.66 88.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 110.297 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.3 mt-10 -65.48 -36.83 85.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.241 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' B' ' 1' ' ' ALA . 93.5 t -63.81 -42.68 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 96.4 t -60.78 -46.2 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.881 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.0 mtp -59.04 -41.28 87.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -41.75 97.77 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 mt -63.38 -43.5 97.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 0.0 110.37 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.408 HD13 HG22 ' B' ' 12' ' ' ILE . 96.4 mt -63.45 -44.68 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.679 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.54 -44.33 98.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.926 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -61.47 -45.66 93.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.833 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 79.5 p -60.73 -44.22 96.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.129 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.12 98.83 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.034 -1.227 . . . . 0.0 110.034 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.13 -42.41 99.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.32 -49.08 78.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.924 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -60.55 -46.94 88.33 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.7 m -54.04 -44.28 70.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.39 -42.71 98.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.726 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.96 75.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.78 -42.8 94.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.688 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.19 -41.81 89.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.671 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.14 83.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.578 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.86 -45.0 96.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.323 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.92 -42.06 75.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.8 -41.52 95.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.873 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.35 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.769 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.61 -29.12 69.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.029 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -80.55 -5.1 56.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.76 13.5 75.17 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.24 79.29 3.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.778 0.323 . . . . 0.0 110.323 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -65.18 -35.57 81.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.605 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -50.82 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.986 0.422 . . . . 0.0 110.782 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.99 81.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.419 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.5 79.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.39 -42.7 96.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.561 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.59 92.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.72 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.18 -41.28 94.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.561 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.9 mmm -63.34 -40.43 97.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.595 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.45 -44.73 95.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.43 -41.51 98.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.31 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -61.17 -46.33 90.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.489 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.44 -42.45 96.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.287 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.85 -43.72 97.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.24 99.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.184 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.98 -39.99 90.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.766 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 53.2 t-20 -60.24 -42.38 95.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.334 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.27 -40.09 93.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.117 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -45.04 78.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.461 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.59 -38.82 88.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.278 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.85 -43.38 98.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.344 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.98 -43.56 92.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.038 0.447 . . . . 0.0 110.057 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.602 ' OE1' ' N ' ' B' ' 56' ' ' THR . 0.8 OUTLIER -61.51 -43.64 98.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.248 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.602 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 19.6 m -60.09 -42.16 94.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.925 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -59.7 -34.23 72.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 0.0 110.523 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.3 mt -71.07 -60.64 2.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.488 ' CD1' ' NE2' ' B' ' 55' ' ' GLN . 72.5 mt -56.85 -35.76 47.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.817 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -84.12 -12.85 54.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.598 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.15 -20.09 43.76 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -73.98 141.64 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 110.551 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.82 137.37 56.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.371 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.8 -10.26 47.05 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.569 ' C ' ' H ' ' B' ' 67' ' ' LYS . 78.4 mm-40 -85.43 118.32 24.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.592 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.93 -33.89 0.39 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.569 ' H ' ' C ' ' B' ' 65' ' ' GLU . 99.2 mttt -98.47 144.82 27.4 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.647 0.26 . . . . 0.0 110.445 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 67.0 mtt -80.26 150.87 29.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.652 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -83.84 -8.52 59.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.834 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 p -110.32 128.34 66.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.784 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.488 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 93.5 p -133.86 169.39 17.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.557 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.53 -44.85 93.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.552 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 79.0 t -62.86 -47.13 94.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.629 -178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.488 ' H ' ' HG ' ' B' ' 71' ' ' SER . 90.8 mt -63.86 -40.42 96.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.51 -47.36 91.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.275 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.48 -44.1 96.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.366 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.09 88.11 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.838 0.352 . . . . 0.0 110.408 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.77 -40.31 96.9 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.229 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 47.1 tp -57.55 -46.51 83.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.373 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.406 ' HD1' HG12 ' B' ' 12' ' ' ILE . 50.2 m170 -67.87 -46.81 70.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.725 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.68 -45.3 94.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.862 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.77 -43.6 98.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.26 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.8 p -63.06 -46.96 85.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.157 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 66.3 m -61.55 -48.73 79.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.83 -48.33 80.06 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.52 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.7 -44.28 97.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.095 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.75 82.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.918 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -58.69 -44.78 90.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.234 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -61.66 -44.41 97.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.181 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 73.9 mt -64.38 -42.55 96.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.071 0.462 . . . . 0.0 110.014 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 76.9 mt -60.47 -41.88 89.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.255 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.561 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 15.2 m -57.22 -45.85 83.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.085 0.469 . . . . 0.0 109.853 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.34 -44.19 95.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.511 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.517 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.5 mt -59.48 -44.03 93.15 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.59 -43.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.498 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.26 -40.04 92.58 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.15 -41.68 98.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.843 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 61.6 m80 -59.92 -40.12 87.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.749 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' B' ' 103' ' ' ALA . 84.7 tt0 -62.53 -39.66 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.146 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . 0.477 ' HZ3' ' CD2' ' C' ' 98' ' ' HIS . 97.9 mttt -64.17 -39.23 93.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.173 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt -63.44 -42.81 98.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.36 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -93.22 -3.58 53.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.639 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.506 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.489 ' O ' ' CG2' ' C' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.424 ' H ' ' H2 ' ' C' ' 1' ' ' ALA . 97.5 mt-10 -67.33 -40.12 85.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.61 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' C' ' 6' ' ' GLU . 83.0 tt0 -89.9 121.82 32.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.355 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' C' ' 3' ' ' GLU . 95.9 mt -37.49 -32.03 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.448 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . 0.454 ' H ' ' HG2' ' C' ' 3' ' ' GLU . 81.3 tt0 -63.66 -45.69 88.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.823 0.344 . . . . 0.0 110.417 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.1 mt-10 -65.3 -37.03 85.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.302 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' C' ' 1' ' ' ALA . 93.8 t -63.39 -42.87 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.6 -46.35 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.953 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -58.84 -41.41 86.87 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -42.12 98.15 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 32.6 mt -63.23 -43.43 98.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.383 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.419 HG22 HD13 ' C' ' 12' ' ' ILE . 96.3 mt -63.46 -44.52 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.676 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.58 -44.57 98.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.079 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -61.27 -45.86 92.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.758 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.0 p -60.38 -44.46 95.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.139 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.12 -43.26 98.97 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.0 -42.18 99.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.8 -48.83 79.9 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -60.82 -46.63 89.81 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -54.3 -44.35 71.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.45 -42.01 98.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.71 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.43 -50.27 74.6 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.71 -42.68 93.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.55 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.68 -41.26 90.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.76 84.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.622 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.15 -44.97 96.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.413 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -55.96 -42.09 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.77 -41.76 96.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.902 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.24 92.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.837 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.69 -29.23 69.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.067 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.21 -5.36 55.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.495 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.98 13.68 74.12 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.68 80.04 3.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.799 0.333 . . . . 0.0 110.282 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -65.91 -35.13 79.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.543 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.53 70.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.08 0.466 . . . . 0.0 110.732 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.59 83.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.332 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.1 77.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.434 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.597 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.96 92.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.719 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -64.95 -41.38 95.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.581 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 99.0 mmm -63.19 -40.34 97.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.667 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.63 -44.57 95.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.471 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.6 -41.41 98.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.346 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 38.2 t -61.26 -46.04 92.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.6 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.82 -42.13 97.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.404 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -61.13 -43.66 98.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.32 0.581 . . . . 0.0 110.492 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.58 99.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.373 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.88 -39.82 91.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.788 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.24 -42.48 95.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.326 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.11 -40.47 94.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.013 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.63 -45.28 79.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.441 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.63 -38.53 87.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.31 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.21 -43.31 99.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.255 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.81 -43.86 93.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.028 0.442 . . . . 0.0 109.997 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.6 ' OE1' ' N ' ' C' ' 56' ' ' THR . 0.8 OUTLIER -61.32 -44.09 97.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.301 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' THR . . . . . 0.6 ' N ' ' OE1' ' C' ' 55' ' ' GLN . 19.3 m -59.6 -42.0 91.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.107 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -60.07 -34.08 72.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.929 0.395 . . . . 0.0 110.468 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.73 -60.6 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.79 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.476 ' CD1' ' NE2' ' C' ' 55' ' ' GLN . 71.8 mt -57.16 -35.48 48.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.869 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.602 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 79.1 mm-40 -84.18 -12.89 54.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.25 -20.01 43.7 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -73.97 141.49 45.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 0.0 110.518 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.77 137.23 56.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.462 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.37 -10.46 47.91 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . 0.59 ' C ' ' H ' ' C' ' 67' ' ' LYS . 79.1 mm-40 -85.25 118.8 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.559 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.36 -33.54 0.33 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.59 ' H ' ' C ' ' C' ' 65' ' ' GLU . 99.2 mttt -98.71 144.48 27.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.64 0.257 . . . . 0.0 110.531 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 67.1 mtt -80.06 151.11 30.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -84.11 -8.53 59.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 4.3 p -109.96 127.63 66.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.738 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.458 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 91.2 p -132.2 171.91 13.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.501 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.71 -43.78 98.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.712 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 72.5 t -64.38 -47.05 91.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 130.098 3.359 . . . . 0.0 110.658 -178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.458 ' H ' ' HG ' ' C' ' 71' ' ' SER . 93.6 mt -66.29 -40.35 89.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.026 178.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.5 -48.11 88.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.17 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.11 -44.48 94.84 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.325 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.12 88.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.895 0.378 . . . . 0.0 110.436 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.82 -40.52 97.64 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.242 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 47.7 tp -57.22 -46.71 82.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.543 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.409 ' HD1' HG12 ' C' ' 12' ' ' ILE . 49.9 m170 -67.75 -46.85 70.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.781 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.5 -45.36 94.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.811 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.1 mmm -61.89 -43.09 99.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.371 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.7 p -63.55 -46.78 84.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.165 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -61.84 -48.42 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.95 -48.6 79.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 110.535 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.41 -44.74 96.61 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.191 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.02 80.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.954 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -58.46 -45.2 89.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.306 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.21 -44.29 97.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.19 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.4 mt -64.59 -42.91 95.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.183 0.516 . . . . 0.0 109.996 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . 0.418 HD13 HG23 ' C' ' 91' ' ' ILE . 77.7 mt -60.05 -41.77 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.438 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 14.4 m -57.36 -45.66 84.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.049 0.452 . . . . 0.0 109.978 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.73 -43.81 95.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.508 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.51 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 86.3 mt -59.54 -43.84 93.38 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.9 -43.07 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.63 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -61.26 -40.14 92.96 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.05 -41.55 98.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.881 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.51 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 62.1 m80 -60.23 -40.32 89.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' C' ' 103' ' ' ALA . 84.3 tt0 -62.48 -39.63 94.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.166 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -39.35 94.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.213 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.49 -42.77 98.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.323 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -93.34 -3.85 52.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.429 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.363 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.603 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.506 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.701 0 CA-C-O 121.956 0.884 . . . . 0.0 108.955 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.469 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.0 t80 -139.78 143.04 36.71 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.29 38.48 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.908 -1.12 . . . . 0.0 109.517 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.14 149.21 28.53 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.32 18.97 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.992 -1.067 . . . . 0.0 108.342 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.8 144.37 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.65 136.59 36.96 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 122.137 0.97 . . . . 0.0 110.127 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.99 114.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.83 -4.25 19.48 Favored 'General case' 0 C--N 1.264 -3.121 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.911 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.52 141.77 85.73 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 119.722 -1.861 . . . . 0.0 110.648 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.42 -47.68 12.7 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 124.828 3.685 . . . . 0.0 114.127 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -102.16 27.49 6.63 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 116.085 -2.246 . . . . 0.0 108.821 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.47 -142.71 46.8 Favored Glycine 0 N--CA 1.496 2.685 0 C-N-CA 117.766 -2.159 . . . . 0.0 109.547 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.3 tp -88.23 74.27 8.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.826 -1.396 . . . . 0.0 109.492 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.585 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.8 p80 -67.72 176.6 2.4 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 117.889 -1.524 . . . . 0.0 112.078 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 37.2 p -39.82 -68.22 0.18 Allowed 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 117.252 2.316 . . . . 0.0 117.252 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.442 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 7.2 tmm_? -56.92 -50.65 86.91 Favored Pre-proline 0 N--CA 1.492 1.672 0 C-N-CA 120.196 -0.602 . . . . 0.0 112.552 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.34 -32.23 61.51 Favored 'Trans proline' 0 C--N 1.318 -1.034 0 CA-C-N 119.525 0.866 . . . . 0.0 111.48 -178.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.86 86.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.22 -0.925 . . . . 0.0 109.474 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.95 -39.65 72.48 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -64.01 -39.4 94.03 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 117.987 -1.485 . . . . 0.0 109.462 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.552 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.63 -45.35 93.25 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 122.609 1.195 . . . . 0.0 108.723 -177.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.57 -42.29 95.33 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.663 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . 0.436 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 96.9 mttt -63.95 -40.18 95.84 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.273 -0.892 . . . . 0.0 109.761 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.455 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.84 -39.69 79.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.4 -0.812 . . . . 0.0 109.578 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.9 91.84 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.672 -1.268 . . . . 0.0 109.482 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.39 -16.2 44.14 Favored 'General case' 0 N--CA 1.511 2.586 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.51 86.16 Favored Glycine 0 N--CA 1.478 1.439 0 O-C-N 119.935 -1.728 . . . . 0.0 109.312 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.45 143.38 32.78 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.22 -1.753 . . . . 0.0 110.01 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.9 p -75.61 -30.08 59.44 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.262 -0.899 . . . . 0.0 112.318 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.79 158.55 10.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.757 -1.839 . . . . 0.0 112.721 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.583 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.35 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 102.867 -3.012 . . . . 0.0 102.867 171.2 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.7 136.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 CA-C-O 122.186 0.994 . . . . 0.0 109.286 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.411 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.9 m -124.93 143.2 51.0 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-O 123.083 1.42 . . . . 0.0 109.967 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.411 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.06 129.94 61.41 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.732 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 173.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.8 m -127.44 119.5 26.26 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.907 -1.121 . . . . 0.0 108.946 -178.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.2 t -122.51 122.56 39.21 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.576 -0.703 . . . . 0.0 109.904 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.81 38.92 24.5 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.861 -1.149 . . . . 0.0 112.737 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.01 83.54 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 119.97 -1.706 . . . . 0.0 112.484 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.87 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.204 -2.147 . . . . 0.0 105.204 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.83 158.53 33.2 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.751 1.738 . . . . 0.0 112.446 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.38 31.4 Favored 'General case' 0 C--N 1.278 -2.528 0 CA-C-N 112.495 -2.139 . . . . 0.0 108.565 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.665 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.59 135.9 48.81 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 173.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.89 -6.87 48.04 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.61 -1.306 . . . . 0.0 110.754 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.665 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.45 12.94 31.56 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.642 -1.286 . . . . 0.0 109.41 -177.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.3 t -133.1 104.16 6.38 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 122.2 1.0 . . . . 0.0 110.143 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.16 -37.93 72.81 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.025 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.87 -51.39 70.21 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.57 -1.331 . . . . 0.0 113.038 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.01 -32.46 70.63 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 119.606 -1.933 . . . . 0.0 109.234 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.86 -33.75 75.92 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.876 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.523 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 6.7 tt0 -67.64 -10.42 51.97 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.641 -0.662 . . . . 0.0 109.994 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.1 p -89.8 -7.75 53.67 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 118.082 -1.447 . . . . 0.0 110.939 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . 0.506 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 97.5 mt -93.32 159.27 15.34 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.257 -0.902 . . . . 0.0 110.222 -178.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.63 104.85 2.96 Favored Glycine 0 N--CA 1.486 2.006 0 N-CA-C 106.91 -2.476 . . . . 0.0 106.91 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.7 mt -119.59 47.29 1.74 Allowed 'General case' 0 C--N 1.309 -1.189 0 O-C-N 120.653 -1.499 . . . . 0.0 107.466 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 4.5 p -81.39 172.51 13.46 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.307 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.65 140.88 57.29 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.941 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.43 -3.1 78.88 Favored Glycine 0 N--CA 1.501 3.001 0 C-N-CA 120.052 -1.071 . . . . 0.0 111.349 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.3 m -84.48 135.99 34.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.959 -1.318 . . . . 0.0 110.543 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.1 t -96.55 123.69 48.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.13 160.15 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.278 0 C-N-CA 117.379 -1.728 . . . . 0.0 110.661 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.9 m -108.93 128.36 54.87 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.5 -1.375 . . . . 0.0 107.55 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.78 121.39 60.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 176.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.62 147.25 50.71 Favored 'General case' 0 C--N 1.285 -2.206 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 -179.57 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.39 47.17 Favored 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 118.501 -1.28 . . . . 0.0 109.741 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.506 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.75 6.41 Favored 'General case' 0 C--N 1.287 -2.127 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.075 178.179 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.24 40.14 Favored Glycine 0 C--N 1.295 -1.695 0 C-N-CA 117.995 -2.05 . . . . 0.0 110.382 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.46 -40.56 82.98 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.405 -0.898 . . . . 0.0 112.175 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.08 36.86 3.52 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 115.847 -2.341 . . . . 0.0 108.561 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.44 -33.48 65.91 Favored 'General case' 0 N--CA 1.522 3.137 0 N-CA-C 116.872 2.175 . . . . 0.0 116.872 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.479 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.64 27.44 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.615 -1.928 . . . . 0.0 110.979 -176.584 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.768 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.77 97.91 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 178.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.49 77.67 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 117.469 -1.692 . . . . 0.0 109.992 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.78 -42.34 89.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 122.202 1.001 . . . . 0.0 109.255 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.85 -47.91 76.44 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-O 122.008 0.909 . . . . 0.0 108.704 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.768 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.87 -38.3 76.36 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.661 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.61 -28.63 58.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.418 -1.426 . . . . 0.0 110.87 -174.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.41 -39.51 71.53 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.451 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.11 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.455 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.29 -45.22 84.32 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.499 177.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.33 -37.39 85.42 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.882 -1.136 . . . . 0.0 111.541 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.8 61.64 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.181 -0.95 . . . . 0.0 110.276 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.91 -32.33 45.63 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.482 -0.762 . . . . 0.0 111.281 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.96 125.42 11.97 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 124.256 1.979 . . . . 0.0 112.937 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.911 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.204 -2.725 . . . . 0.0 110.073 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.89 -37.45 82.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.479 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 6' ' ' GLU . 57.0 mp0 -59.73 -78.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.507 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 3' ' ' GLU . 96.9 mt -38.6 -36.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.4 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -64.54 -48.09 76.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.893 0.378 . . . . 0.0 110.275 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 3' ' ' GLU . 84.6 tt0 -67.78 -35.66 79.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.295 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.51 -42.42 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.65 -44.68 97.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.94 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.7 mtp -59.95 -41.4 91.78 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.53 97.43 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.41 -42.62 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.2 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.403 HD12 HG21 ' A' ' 12' ' ' ILE . 90.7 mt -62.75 -44.23 99.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.733 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.436 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 84.5 mt -62.67 -44.04 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.008 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.29 -45.25 95.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.767 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.4 t -60.26 -44.65 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.996 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.97 -41.21 98.72 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' ' OG ' ' A' ' 20' ' ' SER . 91.5 mm-40 -62.75 -42.63 99.77 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -47.35 86.13 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.877 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.688 ' NH2' ' HG1' ' A' ' 83' ' ' THR . 41.9 ttm180 -61.03 -46.17 91.83 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.514 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.0 p -56.61 -42.56 78.98 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.34 -41.69 98.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.695 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.43 -47.04 82.82 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -58.83 -41.92 88.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.575 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.87 87.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.779 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.8 91.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.723 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.27 -44.72 96.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.464 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.708 ' HZ3' HE21 ' A' ' 31' ' ' GLN . 66.0 tttm -55.41 -43.19 75.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -62.7 -41.96 99.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.778 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.05 94.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.713 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.67 -27.92 69.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.125 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.708 HE21 ' HZ3' ' A' ' 27' ' ' LYS . 86.9 mt-30 -80.21 -3.94 51.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.473 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.3 13.58 70.68 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.39 79.46 2.78 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.766 0.317 . . . . 0.0 110.242 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -65.03 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.618 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.86 77.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.45 . . . . 0.0 110.748 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.22 80.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.392 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.31 78.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.639 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.33 -44.29 95.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.638 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.57 98.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.47 -42.22 92.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.512 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.41 ' SD ' ' CD1' ' A' ' 95' ' ' ILE . 73.5 mtm -64.04 -41.52 97.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.547 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.43 -47.27 86.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 0.0 110.559 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.04 -41.93 97.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.247 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.2 m -60.78 -46.71 89.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.531 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -60.96 -42.73 98.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.319 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.58 -42.65 99.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.224 0.535 . . . . 0.0 110.646 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.21 -41.84 96.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.204 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.65 -40.38 92.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.667 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -61.35 -41.79 97.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.283 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.52 -40.05 92.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.215 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.1 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.486 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.63 -38.59 91.7 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.423 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.64 -43.94 97.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.327 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.39 -43.92 94.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.053 0.454 . . . . 0.0 109.968 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.452 ' CG ' HE21 ' A' ' 78' ' ' GLN . 67.8 tp60 -61.28 -41.84 97.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.243 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.1 m -58.77 -42.84 89.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.04 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.42 -36.64 84.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.509 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.72 -25.39 65.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.652 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.432 HG23 HD13 ' A' ' 59' ' ' ILE . 96.8 mt -92.14 -32.43 5.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -88.22 -7.34 56.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.531 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.33 157.26 19.22 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.29 142.56 57.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.608 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.38 142.67 58.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.473 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.26 -146.48 6.12 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -88.74 107.91 19.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.657 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.88 -32.75 4.19 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -99.92 128.97 45.96 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.74 0.305 . . . . 0.0 110.415 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.421 ' CG ' ' H ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -137.16 -119.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.593 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.421 ' H ' ' CG ' ' A' ' 68' ' ' MET . 68.6 mttm -88.62 -74.74 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.895 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 t -94.17 113.83 29.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.658 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 82.8 p -132.26 165.08 24.98 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.9 mt -58.32 -42.25 86.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.65 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 50.9 t -63.56 -47.61 90.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.882 0.372 . . . . 0.0 110.603 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -64.33 -41.14 96.94 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.019 0.437 . . . . 0.0 110.827 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.2 t -59.81 -47.64 90.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.145 -179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -58.68 -44.39 90.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.839 0.352 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.01 95.26 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.665 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.452 HE21 ' CG ' ' A' ' 55' ' ' GLN . 89.5 mm-40 -62.94 -42.0 99.67 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.221 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.1 tp -58.32 -46.77 85.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.417 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -67.78 -48.77 65.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.679 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.47 -45.61 93.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.794 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -62.13 -44.01 97.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.147 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.688 ' HG1' ' NH2' ' A' ' 19' ' ' ARG . 22.1 p -63.76 -46.3 85.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.077 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.425 ' N ' HH21 ' A' ' 19' ' ' ARG . 46.7 t -62.61 -49.26 75.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.373 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.2 ttm -58.22 -47.46 83.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.483 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.8 -45.26 94.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.391 . . . . 0.0 110.091 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.56 84.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.837 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.1 -45.41 87.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.145 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.494 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.9 mt-10 -62.18 -42.67 99.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.123 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.22 -42.94 96.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.268 0.556 . . . . 0.0 109.911 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.419 HG23 HD11 ' A' ' 91' ' ' ILE . 79.0 mt -60.41 -41.57 87.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.328 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.5 m -57.15 -46.07 83.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.036 0.446 . . . . 0.0 109.931 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -62.54 -42.8 99.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.529 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.4 mt -58.81 -42.89 90.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.362 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.449 HG23 HD11 ' A' ' 95' ' ' ILE . 91.0 mt -61.73 -42.45 94.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.551 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -61.64 -39.1 90.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.701 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.99 -41.17 97.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.865 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -60.08 -38.72 83.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.35 -38.98 91.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.179 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.51 -38.22 90.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.186 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.25 135.46 50.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.421 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 55.41 14.78 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.57 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.838 -1.077 . . . . 0.0 110.572 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.06 -37.4 82.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' B' ' 6' ' ' GLU . 57.4 mp0 -59.61 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.43 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' B' ' 3' ' ' GLU . 97.0 mt -38.85 -35.95 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.497 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -64.42 -48.35 75.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.353 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' B' ' 3' ' ' GLU . 83.7 tt0 -67.3 -36.14 80.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.225 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.31 -42.28 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.011 0.434 . . . . 0.0 110.375 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 78.5 t -60.77 -44.78 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.929 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.5 mtp -59.85 -41.27 91.09 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.79 -42.53 97.04 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.2 -42.47 99.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.801 0.334 . . . . 0.0 110.377 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.2 mt -63.11 -43.85 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.642 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.96 -44.11 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.941 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.21 -45.28 95.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.857 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.4 t -60.07 -45.03 94.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.04 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.43 98.96 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.53 ' O ' ' OG ' ' B' ' 20' ' ' SER . 91.6 mm-40 -62.44 -42.73 99.67 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.69 -47.62 84.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.943 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.705 ' NH2' ' HG1' ' B' ' 83' ' ' THR . 41.9 ttm180 -60.89 -45.73 93.43 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.53 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.3 p -57.0 -42.62 80.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.7 mt -62.27 -41.49 98.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.71 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.82 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.494 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.0 m-85 -58.87 -41.87 88.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.618 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.34 88.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.699 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.73 -44.98 90.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.621 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.17 -44.67 96.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.308 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.716 ' HZ3' HE21 ' B' ' 31' ' ' GLN . 66.1 tttm -55.75 -42.91 76.11 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.84 -41.76 99.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.863 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.39 94.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.725 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.2 -28.57 69.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.097 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.716 HE21 ' HZ3' ' B' ' 27' ' ' LYS . 86.9 mt-30 -79.72 -4.05 50.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.421 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.42 13.27 71.06 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.06 79.33 2.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.735 0.302 . . . . 0.0 110.321 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -65.16 -35.13 80.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.623 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.21 -49.3 76.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.051 0.453 . . . . 0.0 110.766 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.93 79.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.426 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.12 78.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.52 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.61 -44.4 96.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.492 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.69 98.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.658 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.6 -42.21 91.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.457 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.408 ' SD ' ' CD1' ' B' ' 95' ' ' ILE . 72.8 mtm -63.78 -41.62 97.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.545 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -61.49 -47.68 84.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.469 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.61 -41.74 98.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.297 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m -60.87 -46.98 88.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.471 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -60.82 -42.61 98.03 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.283 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.62 -42.76 99.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.264 0.554 . . . . 0.0 110.651 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.94 -42.35 97.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.136 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.37 -40.44 93.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.72 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.24 -41.95 97.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.366 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.28 -40.26 93.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.222 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.43 -44.37 78.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.482 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -63.4 -38.65 91.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.277 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -61.67 -44.2 97.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.334 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.13 -43.74 95.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.016 0.436 . . . . 0.0 110.007 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.458 ' CG ' HE21 ' B' ' 78' ' ' GLN . 67.3 tp60 -61.56 -41.55 97.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.238 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 96.1 m -58.97 -43.08 91.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.963 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.08 -37.18 86.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.843 0.354 . . . . 0.0 110.496 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.2 -25.52 66.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.446 HG23 HD13 ' B' ' 59' ' ' ILE . 96.9 mt -92.17 -32.69 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.768 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -88.06 -7.41 57.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.7 156.74 16.72 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -65.85 142.69 57.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.331 . . . . 0.0 110.612 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.69 142.39 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.349 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.11 -146.81 6.21 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -88.39 108.2 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.84 -32.58 4.24 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -100.08 129.78 46.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.586 0.231 . . . . 0.0 110.527 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' MET . . . . . 0.439 ' CG ' ' H ' ' B' ' 69' ' ' LYS . 0.0 OUTLIER -137.84 -119.49 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.675 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.439 ' H ' ' CG ' ' B' ' 68' ' ' MET . 68.7 mttm -88.78 -74.28 0.47 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.834 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t -95.68 113.44 30.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.77 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 94.5 p -131.62 166.94 20.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.532 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.84 -41.85 96.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.483 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 49.4 t -62.74 -46.9 95.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.606 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.68 -40.86 96.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.99 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 58.1 t -59.77 -47.8 89.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.294 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -58.84 -44.53 90.96 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.306 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.24 95.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.88 0.372 . . . . 0.0 110.427 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.458 HE21 ' CG ' ' B' ' 55' ' ' GLN . 88.8 mm-40 -62.75 -41.93 99.43 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.25 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 49.2 tp -58.53 -46.5 86.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.378 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -67.82 -48.99 64.67 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.729 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.14 -45.68 93.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.05 -44.18 97.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.705 ' HG1' ' NH2' ' B' ' 19' ' ' ARG . 21.8 p -63.52 -46.47 85.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.104 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.439 ' N ' HH21 ' B' ' 19' ' ' ARG . 46.8 t -62.32 -49.49 75.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.581 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 34.1 ttm -57.9 -47.41 82.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.471 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.11 -44.79 95.88 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.159 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.79 -47.4 85.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.843 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.16 -45.51 87.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.267 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.489 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.2 mt-10 -61.67 -43.18 99.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.172 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 70.3 mt -64.05 -42.86 96.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.16 0.505 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 79.1 mt -60.35 -41.53 87.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.183 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.8 m -57.18 -46.09 83.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.13 0.49 . . . . 0.0 109.871 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.65 -42.72 99.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.44 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 37.2 mt -58.84 -43.11 90.62 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.408 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 90.6 mt -61.57 -42.77 95.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.511 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -60.86 -39.69 90.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.92 -41.3 97.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.824 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 47.0 m170 -59.73 -39.06 83.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.74 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.85 -39.37 91.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.14 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.38 -38.15 90.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.204 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 85.7 mt -69.39 135.17 49.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.342 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt 55.73 14.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.51 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.593 179.854 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.79 -37.43 81.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.619 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' C' ' 6' ' ' GLU . 57.2 mp0 -59.34 -78.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.369 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' C' ' 3' ' ' GLU . 96.8 mt -38.92 -36.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.393 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -64.24 -48.47 75.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.828 0.346 . . . . 0.0 110.411 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.1 tt0 -67.21 -36.28 81.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.301 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.1 -42.35 95.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.76 -44.89 98.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.976 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.5 mtp -59.83 -40.99 90.34 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.35 96.79 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.29 -42.64 99.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.414 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.85 -43.89 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.761 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.86 -44.1 99.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.047 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.19 -45.78 93.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.778 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -59.7 -44.69 93.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.162 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.65 -41.99 98.88 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . 0.506 ' O ' ' OG ' ' C' ' 20' ' ' SER . 91.4 mm-40 -62.33 -42.58 99.49 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.66 84.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.706 ' NH2' ' HG1' ' C' ' 83' ' ' THR . 41.7 ttm180 -60.95 -45.55 94.27 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.3 p -57.37 -42.47 82.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.11 -41.59 98.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.721 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.63 84.62 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.9 m-85 -59.3 -41.82 89.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.501 178.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.32 88.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.723 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.69 -44.86 90.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.609 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.4 -44.8 96.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.419 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . 0.738 ' HZ3' HE21 ' C' ' 31' ' ' GLN . 65.9 tttm -55.33 -43.03 74.58 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -62.77 -41.73 99.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.926 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.91 95.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.778 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -61.81 -28.16 69.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.083 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.738 HE21 ' HZ3' ' C' ' 27' ' ' LYS . 86.9 mt-30 -79.88 -4.24 51.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.407 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.65 13.25 70.46 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.25 79.27 2.8 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -65.04 -35.4 81.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.578 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -49.27 76.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.076 0.465 . . . . 0.0 110.672 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.11 80.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.59 -48.36 77.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.49 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.11 -44.57 94.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.607 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.81 98.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.46 -42.53 92.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.051 0.453 . . . . 0.0 110.57 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.414 ' SD ' ' CD1' ' C' ' 95' ' ' ILE . 73.1 mtm -63.56 -41.64 98.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.59 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.51 -47.62 84.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.387 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -63.64 -41.69 98.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.346 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -61.05 -46.75 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.505 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.86 -42.68 98.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.357 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.49 -43.01 99.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.332 0.587 . . . . 0.0 110.564 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.45 97.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.328 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -65.22 -40.51 94.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.725 179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.46 -41.59 97.47 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.343 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.54 -40.14 92.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.031 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.45 78.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.454 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.47 -38.34 90.76 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.357 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.23 -43.77 98.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.251 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 62.6 t -65.34 -43.77 94.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.979 0.419 . . . . 0.0 109.961 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.461 ' CG ' HE21 ' C' ' 78' ' ' GLN . 67.7 tp60 -61.52 -41.96 98.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.265 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 97.8 m -58.71 -42.76 89.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.1 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -63.19 -37.39 87.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.942 0.401 . . . . 0.0 110.5 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.85 -25.51 66.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.786 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -92.28 -32.57 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.812 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.523 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 73.0 mm-40 -88.18 -7.23 57.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.451 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.79 156.93 16.76 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -66.11 142.43 57.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.524 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.42 142.68 58.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.52 -146.61 6.11 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -88.51 108.25 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.54 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.53 -32.06 4.33 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -100.36 129.79 46.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.574 0.226 . . . . 0.0 110.6 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' MET . . . . . 0.432 ' CG ' ' H ' ' C' ' 69' ' ' LYS . 0.0 OUTLIER -138.09 -119.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.554 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.432 ' H ' ' CG ' ' C' ' 68' ' ' MET . 68.7 mttm -88.92 -74.21 0.48 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 11.4 t -95.5 112.78 28.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.752 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 97.3 p -130.29 169.28 15.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.476 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.62 -41.6 99.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.646 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 49.2 t -63.3 -47.53 91.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 130.109 3.364 . . . . 0.0 110.652 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 98.9 mt -66.65 -40.52 88.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.15 -48.25 88.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.266 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -58.79 -44.26 90.69 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.325 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.68 94.78 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.875 0.369 . . . . 0.0 110.44 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . 0.461 HE21 ' CG ' ' C' ' 55' ' ' GLN . 88.6 mm-40 -63.26 -41.67 99.06 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.202 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 48.7 tp -58.75 -46.49 87.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.52 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -67.85 -48.79 65.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.668 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.51 -45.32 94.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.785 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.23 -44.16 97.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.348 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' THR . . . . . 0.706 ' HG1' ' NH2' ' C' ' 19' ' ' ARG . 22.2 p -63.82 -46.27 85.86 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.14 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.433 ' N ' HH21 ' C' ' 19' ' ' ARG . 44.7 t -62.43 -49.12 76.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.631 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 34.1 ttm -58.3 -47.41 83.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.506 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.06 -45.09 95.09 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.136 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.36 85.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.954 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.25 -45.31 88.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.7 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.192 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.9 -42.98 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.162 0.506 . . . . 0.0 110.04 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . 0.424 HD11 HG23 ' C' ' 91' ' ' ILE . 78.7 mt -60.31 -41.45 87.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.353 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 77.4 m -57.49 -45.68 84.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.03 0.443 . . . . 0.0 109.972 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.93 -42.42 99.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.484 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 36.8 mt -59.1 -42.91 91.63 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.414 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 90.2 mt -61.72 -42.55 94.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.545 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.14 -39.37 89.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.781 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.99 -41.35 97.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.91 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -59.76 -39.0 83.39 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.95 -39.26 91.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.089 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.37 -38.24 90.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.204 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.53 135.11 49.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.376 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 55.61 15.13 1.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.504 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.4 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.497 179.795 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.512 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 121.869 0.842 . . . . 0.0 109.005 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.8 143.0 36.65 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.36 38.7 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.0 -1.062 . . . . 0.0 109.507 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.15 28.46 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.93 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.993 -1.067 . . . . 0.0 108.389 178.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.31 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.64 136.64 36.89 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 122.134 0.968 . . . . 0.0 110.135 177.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -85.01 114.32 25.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.91 -4.22 19.38 Favored 'General case' 0 C--N 1.265 -3.083 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.904 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.6 141.82 85.57 Favored Pre-proline 0 N--CA 1.5 2.06 0 O-C-N 119.674 -1.892 . . . . 0.0 110.579 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.58 -47.55 13.22 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 124.739 3.626 . . . . 0.0 114.102 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.454 HD22 ' CE ' ' C' ' 85' ' ' MET . 99.6 m-20 -102.21 27.55 6.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 116.052 -2.259 . . . . 0.0 108.728 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.64 -143.82 48.73 Favored Glycine 0 N--CA 1.496 2.688 0 C-N-CA 117.738 -2.172 . . . . 0.0 109.588 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.2 tp -99.76 80.68 2.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.934 -1.333 . . . . 0.0 109.534 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.481 ' HD1' ' HG1' ' D' ' 316' ' ' THR . 3.2 p80 -83.92 174.92 9.96 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 117.789 -1.564 . . . . 0.0 112.186 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.481 ' HG1' ' HD1' ' D' ' 315' ' ' HIS . 60.5 p -29.86 -68.82 0.07 Allowed 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 -176.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.685 ' NH2' ' NE2' ' A' ' 17' ' ' GLN . 3.3 ttt-85 -48.64 -60.9 3.8 Favored Pre-proline 0 N--CA 1.493 1.69 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.578 -177.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.59 -32.25 58.7 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.369 2.046 . . . . 0.0 111.481 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.86 86.75 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.241 -0.912 . . . . 0.0 109.457 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.81 -39.77 72.88 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -63.97 -39.31 93.85 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.937 -1.505 . . . . 0.0 109.529 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.545 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.78 -45.29 93.37 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 122.61 1.195 . . . . 0.0 108.702 -177.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 52.9 t -62.62 -42.28 95.4 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.262 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.658 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.264 -0.898 . . . . 0.0 109.761 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.7 80.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.509 -0.744 . . . . 0.0 109.565 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.04 91.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.581 -1.324 . . . . 0.0 109.36 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.35 -16.14 43.11 Favored 'General case' 0 N--CA 1.512 2.628 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.91 -10.61 86.08 Favored Glycine 0 N--CA 1.479 1.55 0 O-C-N 119.937 -1.727 . . . . 0.0 109.32 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.404 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.33 32.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.329 -1.689 . . . . 0.0 109.996 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.53 -30.11 59.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.228 -0.92 . . . . 0.0 112.395 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.74 158.6 10.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 119.843 -1.786 . . . . 0.0 112.779 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.99 130.24 35.32 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 102.836 -3.024 . . . . 0.0 102.836 171.229 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.6 60.32 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.393 0 CA-C-O 122.252 1.025 . . . . 0.0 109.318 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.401 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.7 m -124.92 143.21 50.98 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 123.107 1.432 . . . . 0.0 109.942 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.401 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.13 129.94 61.52 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 173.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 68.5 m -127.43 119.58 26.46 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.928 -1.108 . . . . 0.0 108.923 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.55 122.64 39.36 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 119.946 -0.701 . . . . 0.0 109.864 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 38.92 24.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.964 -1.085 . . . . 0.0 112.816 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 10.94 83.56 Favored Glycine 0 N--CA 1.502 3.057 0 O-C-N 119.939 -1.725 . . . . 0.0 112.503 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.81 136.28 54.53 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.83 158.53 33.18 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-O 123.771 1.748 . . . . 0.0 112.432 -176.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.3 31.26 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 112.463 -2.153 . . . . 0.0 108.56 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.662 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.5 135.99 49.03 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 173.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.04 -6.75 47.59 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.707 -1.246 . . . . 0.0 110.734 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.662 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.49 12.95 31.59 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.634 -1.291 . . . . 0.0 109.354 -177.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.4 t -133.04 104.08 6.35 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 122.094 0.95 . . . . 0.0 110.132 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.18 -37.99 72.95 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.989 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -58.76 -51.37 70.26 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.552 -1.343 . . . . 0.0 113.156 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.38 70.4 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 119.592 -1.943 . . . . 0.0 109.211 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.79 -33.82 76.0 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.895 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.562 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 5.6 tp-100 -67.54 -10.54 52.71 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.583 -0.698 . . . . 0.0 109.966 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 352' ' ' THR . . . . . 0.439 ' C ' ' OE1' ' C' ' 60' ' ' GLU . 35.1 p -89.76 -7.72 53.82 Favored 'General case' 0 N--CA 1.502 2.171 0 C-N-CA 118.098 -1.441 . . . . 0.0 110.947 -178.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . 0.415 ' O ' ' CD ' ' C' ' 60' ' ' GLU . 94.2 mt -93.39 159.25 15.34 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.197 -0.939 . . . . 0.0 110.113 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 106.906 -2.477 . . . . 0.0 106.906 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.54 47.45 1.71 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.621 -1.517 . . . . 0.0 107.415 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 80.6 p -81.46 172.53 13.4 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 118.811 -1.155 . . . . 0.0 109.175 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.69 140.93 57.31 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.812 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.18 79.0 Favored Glycine 0 N--CA 1.5 2.955 0 C-N-CA 120.0 -1.095 . . . . 0.0 111.379 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.48 135.85 34.07 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.875 -1.368 . . . . 0.0 110.591 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.46 123.68 48.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.12 160.06 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 C-N-CA 117.438 -1.705 . . . . 0.0 110.637 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 90.0 m -108.85 128.38 54.85 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.493 -1.38 . . . . 0.0 107.624 175.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.79 121.36 60.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.405 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.64 147.28 50.72 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -179.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.17 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 118.576 -1.25 . . . . 0.0 109.769 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.78 6.41 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 118.574 -1.251 . . . . 0.0 108.065 178.185 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.34 40.15 Favored Glycine 0 C--N 1.296 -1.687 0 C-N-CA 118.031 -2.033 . . . . 0.0 110.374 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.59 82.49 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.357 -0.922 . . . . 0.0 112.26 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.02 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 115.899 -2.32 . . . . 0.0 108.57 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.55 65.81 Favored 'General case' 0 N--CA 1.522 3.173 0 N-CA-C 116.855 2.168 . . . . 0.0 116.855 -174.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.469 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.89 -45.59 27.56 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 119.578 -1.951 . . . . 0.0 111.003 -176.549 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.783 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.58 -40.7 97.62 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.43 77.87 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 117.441 -1.704 . . . . 0.0 110.035 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.87 -42.29 88.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 CA-C-O 122.162 0.982 . . . . 0.0 109.203 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -55.76 -48.0 76.02 Favored 'General case' 0 C--N 1.285 -2.204 0 CA-C-O 122.091 0.948 . . . . 0.0 108.74 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.783 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.78 -38.32 76.67 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.733 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.545 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.6 mt -75.6 -28.6 58.94 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.421 -1.425 . . . . 0.0 110.897 -174.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.57 71.03 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.17 63.55 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.17 84.5 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 118.998 -1.081 . . . . 0.0 110.53 177.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.38 -37.42 85.66 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.864 -1.147 . . . . 0.0 111.506 -177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.83 -31.81 61.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.144 -0.973 . . . . 0.0 110.282 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.92 -32.26 45.59 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.472 -0.767 . . . . 0.0 111.315 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.14 125.52 12.5 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 124.392 2.044 . . . . 0.0 112.803 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.904 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.5 tt0 . . . . . 0 C--N 1.277 -2.548 0 CA-C-N 111.131 -2.758 . . . . 0.0 110.114 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.464 ' H3 ' ' CB ' ' A' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -56.43 -174.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.502 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 6' ' ' GLU . 80.0 mm-40 -61.85 -79.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 3' ' ' GLU . 97.1 mt -38.63 -34.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.38 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.464 ' CB ' ' H3 ' ' A' ' 1' ' ' ALA . 71.7 mm-40 -64.24 -47.66 78.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.212 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 3' ' ' GLU . 96.8 mt-10 -67.94 -35.38 78.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.267 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.43 -42.98 98.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.392 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.94 -44.1 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.911 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.1 mtp -59.29 -41.44 88.98 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.39 -42.02 96.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.9 -42.9 99.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.236 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.07 -43.85 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.783 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.408 HD12 HG21 ' A' ' 13' ' ' ILE . 87.4 mt -64.03 -44.23 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.008 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -60.86 -47.1 87.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.816 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.2 m -59.5 -43.63 93.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.989 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.61 -42.1 98.9 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.685 ' NE2' ' NH2' ' D' ' 317' ' ' ARG . 91.7 mm-40 -62.95 -44.88 94.83 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.33 77.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.865 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.35 -45.58 92.98 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.592 ' OG ' ' NH1' ' D' ' 317' ' ' ARG . 67.0 m -55.71 -44.38 77.37 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.54 -41.48 97.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.675 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.41 -48.28 81.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -58.82 -42.13 88.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.638 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.61 -39.94 85.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.775 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.39 86.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.702 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.23 -44.9 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.445 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.24 -43.87 74.98 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.2 mt-30 -61.81 -41.56 97.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.771 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.59 91.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.782 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.72 -28.35 69.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.118 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -80.82 -5.09 56.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.478 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.67 14.86 69.44 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -98.04 78.49 2.53 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.745 0.307 . . . . 0.0 110.265 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -65.42 -35.3 80.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.632 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.76 -50.62 70.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.043 0.449 . . . . 0.0 110.737 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.44 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -65.11 -35.7 81.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.35 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -47.1 84.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 41' ' ' MET . 88.8 tttt -59.58 -42.42 92.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.661 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.63 -37.38 87.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 87.5 mmm -64.77 -47.09 79.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.474 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.463 ' O ' ' OG ' ' A' ' 44' ' ' SER . 20.0 ptm -65.02 -37.49 87.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.655 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -61.72 -48.45 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.514 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.38 -39.89 95.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.209 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.463 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -62.19 -44.52 96.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.53 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.734 HH21 HH12 ' A' ' 88' ' ' ARG . 41.4 ttm180 -60.3 -42.34 95.3 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.45 -42.04 98.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.266 0.555 . . . . 0.0 110.598 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.59 99.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.213 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.23 -40.25 93.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.644 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.26 -41.34 96.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.223 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.54 -39.68 92.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.223 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.32 -43.25 82.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.13 -37.98 89.38 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.37 -43.84 98.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.331 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.54 -43.47 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.101 0.477 . . . . 0.0 110.077 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.83 -42.41 93.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.269 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.9 m -58.24 -42.13 85.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.988 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -40.22 97.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.962 0.41 . . . . 0.0 110.49 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.41 -28.5 69.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.721 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 83.8 mt -84.7 -30.4 6.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.803 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -77.87 -16.13 58.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.34 -40.0 2.9 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -64.83 -42.25 95.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.61 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 97.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.8 -176.54 41.19 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 57.5 mp0 -68.68 113.17 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.348 . . . . 0.0 110.736 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.57 2.57 88.13 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -97.7 142.75 29.11 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.702 0.287 . . . . 0.0 110.454 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.8 mtt -65.5 140.11 58.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.631 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -85.99 -8.87 57.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.73 117.38 44.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.733 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.53 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 83.2 p -129.33 162.21 28.49 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 178.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.5 mt -57.39 -45.31 84.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.528 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.08 -47.38 90.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.872 0.367 . . . . 0.0 110.53 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.53 ' H ' ' HG ' ' A' ' 71' ' ' SER . 90.0 mt -63.36 -41.51 98.83 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 56.4 t -59.71 -47.09 92.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.188 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.54 -45.4 91.9 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.331 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.01 93.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.695 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.514 ' O ' ' SD ' ' A' ' 82' ' ' MET . 86.3 mt-30 -63.15 -40.03 96.39 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.17 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.5 tp -58.36 -46.79 85.61 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.369 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -68.11 -47.32 68.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.3 -46.07 91.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.77 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.657 ' SD ' ' N ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -61.7 -43.73 98.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.24 -179.401 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 p -63.44 -48.14 78.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.133 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.6 m -61.44 -49.19 77.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.415 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 55.8 ttm -58.47 -47.08 85.22 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.512 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.02 -45.51 93.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.13 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.01 87.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.889 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.734 HH12 HH21 ' A' ' 45' ' ' ARG . 3.5 tmt_? -58.52 -45.36 88.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.143 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.471 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.8 mt-10 -62.23 -43.45 98.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.035 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.7 mt -64.02 -43.52 95.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.152 0.501 . . . . 0.0 109.879 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.42 -42.34 90.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.1 m -57.21 -45.83 83.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.003 0.43 . . . . 0.0 109.869 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.33 -43.18 98.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.433 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 81.7 mt -59.15 -43.07 92.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.38 -42.54 94.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.534 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.499 ' CD ' ' NZ ' ' B' ' 30' ' ' LYS . 84.1 tt0 -61.72 -39.45 91.56 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.44 -40.8 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.927 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 62.3 m80 -60.27 -39.77 88.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.793 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.46 -39.3 87.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.157 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.76 -36.44 83.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.249 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.1 140.17 48.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.42 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -74.32 140.56 44.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.524 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.542 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.465 ' H3 ' ' CB ' ' B' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -56.15 -174.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.577 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' B' ' 6' ' ' GLU . 80.0 mm-40 -62.19 -79.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.504 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' B' ' 3' ' ' GLU . 96.9 mt -38.6 -34.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.509 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.465 ' CB ' ' H3 ' ' B' ' 1' ' ' ALA . 76.7 mm-40 -63.91 -48.31 77.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.86 0.362 . . . . 0.0 110.369 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' B' ' 3' ' ' GLU . 96.9 mt-10 -67.29 -35.71 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.195 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.33 -43.28 98.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.346 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.62 -44.09 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.87 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -59.39 -41.31 89.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.5 -42.04 95.96 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.99 -42.66 99.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.823 0.344 . . . . 0.0 110.394 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.403 HD12 HG22 ' B' ' 12' ' ' ILE . 95.2 mt -63.17 -44.06 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.757 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.408 HD12 HG21 ' B' ' 13' ' ' ILE . 88.6 mt -63.8 -44.2 98.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.943 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -61.05 -46.92 88.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.849 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 62.3 m -59.54 -43.62 93.46 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.12 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.77 -42.08 98.68 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -62.9 -44.59 95.68 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.1 78.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.908 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.55 -45.59 93.32 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -55.8 -44.25 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.46 -41.88 97.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.747 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.46 79.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.471 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 19.9 m-85 -58.84 -41.84 87.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.708 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.82 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.765 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.73 87.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.629 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.96 -44.57 96.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.374 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.53 -44.05 76.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.449 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.0 mt-30 -61.55 -41.21 97.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.889 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.32 93.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.679 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.499 ' NZ ' ' CD ' ' A' ' 96' ' ' GLU . 67.4 mttm -61.9 -28.36 69.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.037 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -80.92 -5.3 57.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.06 14.59 69.0 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.76 78.49 2.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 110.349 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -65.51 -35.09 79.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.596 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.81 -50.28 71.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.793 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.449 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.42 -35.69 81.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.405 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.21 84.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.506 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' B' ' 41' ' ' MET . 88.8 tttt -59.53 -42.85 93.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.585 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.72 88.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 87.3 mmm -64.51 -46.84 81.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.471 ' O ' ' OG ' ' B' ' 44' ' ' SER . 20.0 ptm -65.12 -37.64 88.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.583 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.78 -48.54 80.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.513 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.03 -40.14 96.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.295 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.471 ' OG ' ' O ' ' B' ' 41' ' ' MET . 77.7 p -61.99 -44.71 96.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.505 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.744 HH21 HH12 ' B' ' 88' ' ' ARG . 41.3 ttm180 -60.09 -42.49 94.77 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 59.2 mtt -61.26 -42.24 98.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.283 0.563 . . . . 0.0 110.627 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.63 99.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.145 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.15 -40.2 94.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.728 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.32 -41.38 96.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.396 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -65.33 -39.77 92.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.148 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.42 -43.31 81.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.399 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.98 -38.11 89.81 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.309 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.5 mt -61.34 -43.82 98.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.349 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.54 -43.53 94.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.116 0.484 . . . . 0.0 110.095 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.402 HE21 HD21 ' B' ' 74' ' ' LEU . 66.5 tp60 -59.71 -42.39 92.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.278 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 87.8 m -58.29 -42.13 85.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.989 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.16 -40.06 96.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.447 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.2 mt -62.56 -28.55 69.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 81.6 mt -84.64 -30.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.763 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -77.94 -15.77 58.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.68 -39.88 2.85 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -65.15 -42.08 94.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.512 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.56 96.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.363 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.64 -176.6 41.43 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' B' ' 65' ' ' GLU . 59.2 mp0 -68.65 113.06 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.539 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.74 2.77 88.67 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -97.83 142.86 29.07 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.62 0.248 . . . . 0.0 110.485 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 66.9 mtt -65.59 140.78 58.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.613 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -86.66 -8.44 57.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.789 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.7 t -101.02 117.38 46.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.733 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.542 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 87.9 p -129.25 164.13 24.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.54 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.59 -45.33 92.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.607 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.99 -46.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.811 0.339 . . . . 0.0 110.674 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.542 ' H ' ' HG ' ' B' ' 71' ' ' SER . 91.5 mt -63.63 -41.13 98.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.117 0.485 . . . . 0.0 111.043 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.8 -47.17 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.294 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.496 ' OE2' ' OE1' ' A' ' 78' ' ' GLN . 38.8 tp10 -59.68 -45.49 91.92 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.266 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.37 93.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.936 0.398 . . . . 0.0 110.371 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.506 ' O ' ' SD ' ' B' ' 82' ' ' MET . 85.9 mt-30 -62.88 -40.1 96.49 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 45.1 tp -58.26 -47.07 84.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.365 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -67.74 -47.69 68.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.784 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.13 -45.81 93.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.881 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' MET . . . . . 0.649 ' N ' ' SD ' ' B' ' 82' ' ' MET . 0.0 OUTLIER -61.8 -43.79 98.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.234 -179.478 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 21.4 p -63.56 -47.82 79.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.2 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.1 m -61.12 -49.41 77.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 55.8 ttm -58.37 -47.44 83.81 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.473 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.84 -45.65 92.88 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.084 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.43 -47.4 85.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.891 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.744 HH12 HH21 ' B' ' 45' ' ' ARG . 3.5 tmt_? -58.0 -45.5 86.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.245 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.484 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.6 mt-10 -62.0 -43.55 98.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.132 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.98 -43.4 95.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.039 0.447 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.6 -41.79 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.186 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -57.82 -45.63 85.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.036 0.446 . . . . 0.0 109.888 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.4 -43.32 97.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.466 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.462 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 82.2 mt -59.09 -43.13 91.8 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.27 -42.86 95.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.505 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.51 ' CD ' ' NZ ' ' C' ' 30' ' ' LYS . 84.6 tt0 -61.38 -39.6 91.24 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -62.35 -40.98 98.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.853 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 61.7 m80 -60.09 -39.64 86.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.826 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.47 -39.42 87.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.128 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.74 -36.19 83.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.209 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.26 140.26 48.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.342 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -74.65 140.43 44.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.586 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.469 ' H3 ' ' CB ' ' C' ' 5' ' ' GLU . . . . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -56.71 -174.37 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.9 mm-40 -62.03 -79.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.283 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' C' ' 3' ' ' GLU . 97.1 mt -38.67 -33.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.356 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . 0.469 ' CB ' ' H3 ' ' C' ' 1' ' ' ALA . 78.9 mm-40 -64.08 -48.49 75.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.852 0.358 . . . . 0.0 110.374 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.0 mt-10 -67.17 -35.83 80.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.245 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.16 -43.01 98.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.361 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -60.91 -44.28 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.947 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.6 mtp -59.12 -41.46 88.24 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.48 -42.04 95.99 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.71 -42.87 99.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.381 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.95 -44.1 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.689 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.68 -44.37 98.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.001 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -60.92 -47.01 88.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.877 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 64.3 m -59.48 -43.76 93.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.09 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.77 -41.66 98.82 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -63.37 -44.58 94.36 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.33 77.4 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.35 -45.57 93.02 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -55.78 -44.32 77.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.64 -41.36 97.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.733 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.15 81.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.484 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 19.6 m-85 -59.0 -42.25 89.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.507 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.66 -39.88 85.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.665 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.97 86.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.567 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.81 -44.6 96.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.44 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.51 -43.5 75.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.1 mt-30 -62.3 -41.25 98.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.838 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.21 92.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.806 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . 0.51 ' NZ ' ' CD ' ' B' ' 96' ' ' GLU . 67.4 mttm -62.11 -28.34 69.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.136 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -80.72 -5.29 56.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.448 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.14 14.27 69.53 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.67 78.54 2.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.689 0.28 . . . . 0.0 110.262 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -65.47 -35.37 80.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.544 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -50.08 72.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.025 0.44 . . . . 0.0 110.654 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . 0.444 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.44 -35.92 82.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.429 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.09 84.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' C' ' 41' ' ' MET . 88.8 tttt -59.42 -43.16 93.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.61 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.42 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.743 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 86.4 mmm -64.56 -46.96 80.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.481 ' O ' ' OG ' ' C' ' 44' ' ' SER . 20.2 ptm -64.95 -38.05 89.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.58 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -61.6 -48.22 81.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.439 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -63.2 -40.29 97.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.331 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' C' ' 41' ' ' MET . 77.4 p -62.02 -44.22 97.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.593 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.763 HH21 HH12 ' C' ' 88' ' ' ARG . 41.3 ttm180 -60.45 -42.41 96.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.419 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 59.5 mtt -61.53 -42.03 98.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.333 0.587 . . . . 0.0 110.52 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.97 99.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.31 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.93 -40.42 95.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.723 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.25 -41.18 96.46 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.307 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.62 -39.44 91.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.066 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.81 -42.96 80.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.429 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.15 -37.93 89.18 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.356 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.76 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.343 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.88 -43.48 93.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.024 0.44 . . . . 0.0 109.959 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.422 HE21 HD21 ' C' ' 74' ' ' LEU . 66.4 tp60 -59.78 -42.5 93.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.222 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 95.0 m -58.18 -41.99 85.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.13 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.29 -40.1 96.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.49 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.9 mt -62.12 -28.91 69.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 83.9 mt -84.36 -30.39 7.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.562 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 -77.88 -16.04 58.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.482 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.38 -39.69 2.96 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -65.54 -41.54 92.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.801 0.334 . . . . 0.0 110.525 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.83 96.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.496 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.86 -176.45 41.11 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' C' ' 65' ' ' GLU . 59.3 mp0 -68.7 113.07 5.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.353 . . . . 0.0 110.579 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.47 2.91 88.45 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -97.7 142.71 29.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.612 0.244 . . . . 0.0 110.527 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 66.8 mtt -65.74 140.99 58.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.565 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.42 ' HD2' HE21 ' D' ' 351' ' ' GLN . 64.5 pttt -86.93 -8.32 57.35 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 17.2 t -100.57 116.85 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.727 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.509 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 88.0 p -127.89 166.52 18.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.519 -179.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.36 -44.49 97.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.615 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.39 -47.27 90.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 130.08 3.352 . . . . 0.0 110.599 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.509 ' H ' ' HG ' ' C' ' 71' ' ' SER . 91.5 mt -65.55 -40.93 93.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.16 -47.56 91.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.215 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.496 ' OE2' ' OE1' ' B' ' 78' ' ' GLN . 39.3 tp10 -59.67 -45.32 92.43 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.323 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.13 -44.69 91.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.889 0.376 . . . . 0.0 110.419 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . 0.503 ' O ' ' SD ' ' C' ' 82' ' ' MET . 86.1 mt-30 -62.53 -40.42 96.72 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.23 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 44.3 tp -57.94 -47.4 83.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.445 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -67.39 -47.71 69.53 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.762 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.09 -46.02 92.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.805 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' MET . . . . . 0.656 ' SD ' ' N ' ' C' ' 82' ' ' MET . 0.0 OUTLIER -61.58 -43.86 98.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.9 p -63.5 -47.88 79.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.156 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 66.4 m -61.46 -49.36 77.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.552 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.454 ' CE ' HD22 ' D' ' 312' ' ' ASN . 56.2 ttm -58.1 -47.31 83.62 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.547 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.04 -45.67 92.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.146 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.07 -47.6 84.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.88 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.763 HH12 HH21 ' C' ' 45' ' ' ARG . 3.5 tmt_? -58.14 -45.25 87.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.23 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.93 -43.76 98.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.176 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.93 -43.32 96.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.168 0.509 . . . . 0.0 109.952 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . 0.406 HD12 HG22 ' C' ' 91' ' ' ILE . 82.6 mt -60.65 -41.96 90.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.439 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.51 -45.63 84.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.008 0.432 . . . . 0.0 109.937 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.69 -43.02 97.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.514 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.48 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 82.5 mt -59.22 -42.97 92.26 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.5 -42.68 94.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.5 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.49 -39.38 90.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.37 -41.28 98.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.81 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.48 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 62.2 m80 -59.9 -39.66 86.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.776 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.62 -39.41 88.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.045 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.58 -36.51 84.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.217 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.7 mt -72.06 140.13 48.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.372 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -74.38 140.55 44.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.416 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.535 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.506 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.716 0 CA-C-O 121.869 0.842 . . . . 0.0 108.956 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.78 143.02 36.7 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.34 38.63 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.968 -1.082 . . . . 0.0 109.504 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.15 28.47 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.33 18.93 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.06 -1.025 . . . . 0.0 108.394 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.37 19.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.76 136.64 37.02 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 122.109 0.957 . . . . 0.0 110.146 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.95 114.3 24.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.2 p -106.79 -4.35 19.42 Favored 'General case' 0 C--N 1.266 -3.054 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.911 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.47 141.83 85.92 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.779 -1.825 . . . . 0.0 110.605 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -45.51 -47.66 12.93 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 124.746 3.631 . . . . 0.0 114.139 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -102.17 27.51 6.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 116.07 -2.252 . . . . 0.0 108.771 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.06 -142.07 48.37 Favored Glycine 0 N--CA 1.497 2.74 0 C-N-CA 117.674 -2.203 . . . . 0.0 109.562 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.2 tp -88.44 65.7 8.01 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.931 -1.335 . . . . 0.0 109.522 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.614 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.7 OUTLIER -54.77 177.66 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 117.863 -1.535 . . . . 0.0 112.163 -178.255 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.0 OUTLIER -45.23 -66.35 0.41 Allowed 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 117.271 2.323 . . . . 0.0 117.271 -176.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.557 ' N ' ' OG1' ' D' ' 316' ' ' THR . 7.3 tmm_? -56.11 -50.4 87.61 Favored Pre-proline 0 N--CA 1.493 1.678 0 C-N-CA 120.205 -0.598 . . . . 0.0 112.476 -177.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.8 Cg_endo -63.81 -32.26 67.31 Favored 'Trans proline' 0 C--N 1.317 -1.121 0 C-N-CA 120.955 1.104 . . . . 0.0 111.477 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.85 86.8 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.259 -0.901 . . . . 0.0 109.495 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.93 -39.7 72.51 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.93 -39.45 94.2 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 117.941 -1.504 . . . . 0.0 109.469 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.552 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.63 -45.34 93.29 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 122.533 1.158 . . . . 0.0 108.654 -177.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.67 -42.21 95.22 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.275 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.71 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.94 -40.22 95.95 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.247 -0.908 . . . . 0.0 109.74 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.453 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.66 80.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.835 . . . . 0.0 109.602 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.03 91.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.608 -1.307 . . . . 0.0 109.422 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.27 -16.25 43.55 Favored 'General case' 0 N--CA 1.512 2.637 0 O-C-N 121.311 -0.868 . . . . 0.0 113.3 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.57 86.13 Favored Glycine 0 N--CA 1.478 1.482 0 O-C-N 119.908 -1.745 . . . . 0.0 109.287 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.408 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.47 143.37 32.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.273 -1.722 . . . . 0.0 110.002 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.6 -30.1 59.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.23 -0.919 . . . . 0.0 112.315 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.48 10.24 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 119.791 -1.818 . . . . 0.0 112.829 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.83 130.24 35.48 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 171.223 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.73 136.65 60.19 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-O 122.25 1.024 . . . . 0.0 109.275 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.413 HG23 ' N ' ' D' ' 335' ' ' VAL . 94.0 m -124.98 143.24 51.0 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 123.058 1.409 . . . . 0.0 109.965 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.413 ' N ' HG23 ' D' ' 334' ' ' THR . 86.0 t -108.18 129.97 61.54 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.719 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 173.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.5 m -127.49 119.66 26.58 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.875 -1.141 . . . . 0.0 108.885 -178.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.58 122.58 39.2 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.594 -0.692 . . . . 0.0 109.872 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.69 38.97 24.24 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.896 -1.127 . . . . 0.0 112.773 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.99 83.54 Favored Glycine 0 N--CA 1.5 2.96 0 O-C-N 119.881 -1.762 . . . . 0.0 112.528 177.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.84 136.19 54.58 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.76 158.52 33.1 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-O 123.774 1.749 . . . . 0.0 112.411 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.38 Favored 'General case' 0 C--N 1.278 -2.54 0 CA-C-N 112.511 -2.131 . . . . 0.0 108.626 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.666 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.58 135.95 48.88 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 173.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.94 -6.84 47.96 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.726 -1.234 . . . . 0.0 110.733 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.666 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.51 13.05 31.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.715 -1.24 . . . . 0.0 109.361 -177.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.1 m -133.12 104.06 6.33 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.206 1.003 . . . . 0.0 110.13 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.16 -37.95 72.84 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.977 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -58.92 -51.26 70.81 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.609 -1.307 . . . . 0.0 113.072 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.14 -32.41 70.39 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 119.579 -1.951 . . . . 0.0 109.184 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.78 -33.74 75.8 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.905 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.516 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 1.0 OUTLIER -67.75 -10.38 52.07 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.644 -0.66 . . . . 0.0 109.934 -177.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.2 p -89.8 -7.69 53.8 Favored 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 118.112 -1.435 . . . . 0.0 110.954 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.37 159.34 15.3 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.244 -0.91 . . . . 0.0 110.119 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.76 104.94 2.98 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 106.887 -2.485 . . . . 0.0 106.887 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.5 mt -119.65 47.35 1.73 Allowed 'General case' 0 C--N 1.309 -1.175 0 O-C-N 120.721 -1.458 . . . . 0.0 107.394 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 62.1 p -81.35 172.55 13.44 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.269 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -60.7 140.88 57.35 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.329 -0.948 . . . . 0.0 109.864 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.08 79.01 Favored Glycine 0 N--CA 1.5 2.959 0 O-C-N 121.009 -1.057 . . . . 0.0 111.303 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.43 135.94 34.06 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 120.927 -1.337 . . . . 0.0 110.557 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.56 123.62 48.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 176.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.13 160.08 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.347 0 C-N-CA 117.346 -1.742 . . . . 0.0 110.66 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.5 m -108.85 128.29 54.78 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.517 -1.365 . . . . 0.0 107.678 175.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.77 121.35 60.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 176.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.29 50.71 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -179.55 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.79 153.37 47.11 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.736 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.506 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.77 6.42 Favored 'General case' 0 C--N 1.288 -2.08 0 C-N-CA 118.556 -1.258 . . . . 0.0 108.052 178.204 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.29 40.14 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 117.981 -2.056 . . . . 0.0 110.351 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.48 -40.56 83.07 Favored 'General case' 0 C--N 1.276 -2.629 0 CA-C-N 114.441 -0.879 . . . . 0.0 112.167 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.09 36.88 3.51 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 115.845 -2.342 . . . . 0.0 108.55 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.42 -33.52 65.9 Favored 'General case' 0 N--CA 1.521 3.105 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.471 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.65 27.51 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.624 -1.922 . . . . 0.0 110.965 -176.592 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.765 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.46 -40.78 98.05 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.55 77.43 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 117.456 -1.698 . . . . 0.0 110.038 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.76 -42.24 89.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 CA-C-O 122.29 1.043 . . . . 0.0 109.319 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.91 -47.93 76.57 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-O 122.068 0.937 . . . . 0.0 108.762 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.765 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.69 -38.43 76.99 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.695 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.5 mt -75.6 -28.55 58.95 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.361 -1.462 . . . . 0.0 110.912 -174.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.48 70.74 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.3 62.75 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.453 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.24 -45.23 84.12 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 118.975 -1.09 . . . . 0.0 110.558 177.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.36 -37.3 85.16 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.925 -1.109 . . . . 0.0 111.602 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.79 61.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.188 -0.945 . . . . 0.0 110.264 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.87 -32.36 45.89 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.501 -0.749 . . . . 0.0 111.27 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.5 12.37 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 124.337 2.017 . . . . 0.0 112.83 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.911 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.555 0 CA-C-N 111.127 -2.76 . . . . 0.0 110.127 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -57.32 -38.13 73.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.569 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 6' ' ' GLU . 96.9 mt-10 -62.39 -69.09 0.28 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.418 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 3' ' ' GLU . 97.9 mt -37.5 -39.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.429 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.62 -47.38 78.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.9 0.381 . . . . 0.0 110.278 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 3' ' ' GLU . 70.9 mm-40 -66.66 -37.55 85.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.264 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.05 -42.48 96.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.386 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.13 -45.22 96.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.927 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mtp -58.72 -40.94 85.17 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.83 -42.25 97.12 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.96 -42.84 99.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.251 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' CG2' ' OG1' ' D' ' 316' ' ' THR . 93.6 mt -62.73 -44.49 99.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.759 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.0 -43.69 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.02 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -61.34 -46.34 90.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.713 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.4 m -59.93 -44.29 94.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.001 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.7 99.84 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.41 -41.95 98.73 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.1 78.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.877 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -60.42 -45.76 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.401 ' OG ' ' NH2' ' D' ' 317' ' ' ARG . 67.1 m -54.5 -43.77 72.11 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.53 -41.71 99.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.716 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.44 77.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -60.02 -42.21 93.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.587 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.46 96.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.744 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.76 89.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.605 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.6 -46.0 91.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.46 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -55.64 -42.88 75.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.17 0.509 . . . . 0.0 109.631 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.586 ' NE2' ' CE ' ' A' ' 40' ' ' MET . 98.0 mt-30 -60.43 -41.25 93.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.813 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.43 93.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.711 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.61 -29.54 70.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.135 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -83.11 -5.42 59.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.445 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 18.56 64.14 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -100.88 78.65 1.96 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.777 0.323 . . . . 0.0 110.285 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -65.43 -33.44 75.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.645 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -48.44 79.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.148 0.499 . . . . 0.0 110.773 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -34.95 79.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.382 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.73 87.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.614 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.48 -41.89 97.94 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.626 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.2 94.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.586 ' CE ' ' NE2' ' A' ' 28' ' ' GLN . 45.9 mtt -65.55 -40.65 93.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.463 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.551 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 19.1 mmt -62.51 -42.9 99.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.632 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -62.39 -45.59 92.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.996 0.426 . . . . 0.0 110.551 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.2 -41.99 96.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.21 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.43 -46.35 90.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.559 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -60.47 -43.16 97.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.61 -42.57 99.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.141 0.496 . . . . 0.0 110.621 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.05 98.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.162 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.6 mt -65.59 -39.94 92.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.74 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -61.29 -41.41 96.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.274 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.28 -39.6 92.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.198 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.1 76.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.422 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.7 -38.73 88.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.381 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.19 -43.74 98.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.92 -43.77 97.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.04 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.535 HE22 ' CD2' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -60.15 -41.64 93.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.301 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.4 m -56.89 -44.1 81.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.996 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.74 -40.19 96.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.534 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.3 mt -62.94 -31.01 72.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.669 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.411 HG23 HD13 ' A' ' 59' ' ' ILE . 96.8 mt -86.5 -31.34 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.829 -179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -83.19 -8.07 59.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.528 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.56 141.98 44.9 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -91.66 -2.1 57.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.33 . . . . 0.0 110.539 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.27 52.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.31 119.45 6.51 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.581 ' C ' ' H ' ' A' ' 67' ' ' LYS . 84.2 tt0 -91.72 105.63 17.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.899 0.38 . . . . 0.0 110.695 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.79 -35.54 0.23 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.581 ' H ' ' C ' ' A' ' 65' ' ' GLU . 99.4 mttt -79.23 139.05 38.03 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.718 0.294 . . . . 0.0 110.409 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.5 ttm -68.58 -89.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.594 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -128.72 -20.16 3.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -97.67 116.84 41.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.726 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.4 p -131.28 163.25 28.22 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.4 mt -56.89 -44.11 81.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.49 -47.93 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.887 0.375 . . . . 0.0 110.551 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.535 ' CD2' HE22 ' A' ' 55' ' ' GLN . 83.5 mt -63.79 -42.5 97.73 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.86 -47.74 90.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.178 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.93 -45.32 90.69 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.271 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.65 96.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.606 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -64.54 -40.17 95.1 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.181 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.5 tp -57.51 -47.62 81.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.361 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -67.45 -48.2 67.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.725 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.57 -45.26 94.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.872 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.8 -45.05 95.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.7 p -62.15 -47.21 85.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.076 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -62.23 -47.84 82.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.441 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -58.68 -48.28 81.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.61 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.89 -45.23 95.43 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.127 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.54 88.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.801 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -61.6 -45.35 94.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.073 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 95.5 mt-10 -61.2 -49.67 76.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.107 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.37 -41.71 96.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.219 0.533 . . . . 0.0 109.883 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 31.5 mt -59.77 -42.11 87.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.551 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 98.3 m -58.32 -45.96 87.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.988 0.423 . . . . 0.0 109.872 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.7 -42.51 99.68 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 13.9 mt -59.6 -43.19 93.79 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.21 -42.33 93.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.582 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.89 -39.43 85.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.459 ' CD2' ' NE2' ' B' ' 98' ' ' HIS . 36.7 mt -62.07 -41.71 98.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.887 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.567 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 75.5 m80 -60.04 -40.2 88.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 102' ' ' LYS . 81.2 tt0 -64.04 -38.51 91.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.217 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -62.69 -39.88 95.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.24 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.52 -42.18 99.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.43 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.3 mttt -91.71 142.51 27.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.515 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.576 -179.805 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -57.56 -37.88 73.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.0 mt-10 -62.72 -68.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.481 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' B' ' 3' ' ' GLU . 97.9 mt -37.75 -39.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.504 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.39 -47.33 79.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.942 0.401 . . . . 0.0 110.396 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' B' ' 3' ' ' GLU . 71.3 mm-40 -66.7 -37.81 85.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.125 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.74 -42.56 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.371 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.14 -45.17 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.896 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.09 -40.59 85.74 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.0 -42.17 96.92 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.01 -42.78 99.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.794 0.331 . . . . 0.0 110.382 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.06 -44.41 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.691 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.98 -43.82 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.94 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -61.09 -46.34 91.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.872 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 68.1 m -59.94 -44.28 94.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.059 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.99 -41.89 99.8 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.16 -42.14 99.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.89 -48.88 78.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.878 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.76 -45.7 93.32 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -54.45 -43.51 71.71 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.81 -41.97 99.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.688 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.98 -48.94 79.75 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.468 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.7 m-85 -60.22 -42.06 94.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.634 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.91 95.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.694 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.95 88.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.613 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.4 -46.23 91.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.309 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -55.59 -43.14 75.72 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.596 ' NE2' ' CE ' ' B' ' 40' ' ' MET . 98.0 mt-30 -60.17 -40.99 91.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.869 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.12 94.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.765 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.95 -29.36 70.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.004 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -83.22 -5.9 59.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.405 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.0 18.17 63.7 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -100.64 78.01 1.95 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.762 0.315 . . . . 0.0 110.331 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -65.09 -33.49 76.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.635 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.84 77.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.048 0.451 . . . . 0.0 110.757 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -34.78 79.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.393 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.0 86.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.543 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.31 -42.05 98.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.597 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.43 93.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.659 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' MET . . . . . 0.596 ' CE ' ' NE2' ' B' ' 28' ' ' GLN . 46.1 mtt -65.44 -40.81 93.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.556 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 18.6 mmt -62.41 -43.02 99.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.599 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.32 -45.9 91.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.414 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.7 -41.97 98.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.3 t -61.53 -46.59 89.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.529 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.36 -43.06 96.89 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.345 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 94.0 mtp -61.55 -42.73 99.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.295 0.569 . . . . 0.0 110.625 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.8 98.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.158 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.96 -39.96 90.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.741 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 51.0 t-20 -61.03 -41.47 96.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.349 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.34 -39.69 92.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.185 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.94 77.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.472 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.93 -38.66 89.29 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.302 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.24 -43.89 98.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.277 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.67 -43.98 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.998 0.428 . . . . 0.0 110.081 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.545 HE22 ' CD2' ' B' ' 74' ' ' LEU . 0.6 OUTLIER -60.11 -41.73 93.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.276 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 74.5 m -56.74 -43.94 81.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.0 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.04 -40.0 95.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 98.3 mt -63.15 -30.82 71.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.669 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.407 HD13 HG23 ' B' ' 59' ' ' ILE . 96.8 mt -86.64 -31.24 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.745 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -83.0 -8.87 59.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.9 141.94 45.8 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -91.97 -1.77 57.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 110.562 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.63 53.18 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.462 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.57 119.87 6.65 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.597 ' C ' ' H ' ' B' ' 67' ' ' LYS . 84.3 tt0 -91.76 105.58 17.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.317 . . . . 0.0 110.608 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.06 -35.89 0.24 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.597 ' H ' ' C ' ' B' ' 65' ' ' GLU . 99.5 mttt -78.8 139.57 38.37 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.626 0.251 . . . . 0.0 110.482 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 28.9 ttm -69.29 -89.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -129.05 -19.45 3.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.2 t -99.35 116.49 42.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.74 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 97.8 p -130.57 166.12 21.29 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.5 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.38 -43.69 96.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.538 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.65 -47.05 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.659 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.545 ' CD2' HE22 ' B' ' 55' ' ' GLN . 82.7 mt -64.23 -41.89 96.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.36 -47.9 90.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.354 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -58.58 -45.83 88.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.303 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.29 97.14 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.861 0.362 . . . . 0.0 110.402 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -63.88 -40.42 96.47 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.209 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 40.3 tp -57.27 -47.96 80.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.38 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -67.33 -47.62 69.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.781 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.16 -45.0 95.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.32 -44.28 96.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.238 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.6 p -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.151 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.39 -47.82 82.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.58 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.47 -48.53 80.45 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.474 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.74 -45.32 94.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.1 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.54 88.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.876 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.57 -45.36 94.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.251 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.463 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.3 mt-10 -61.17 -49.11 78.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.146 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.22 -41.21 94.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.0 109.975 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 31.9 mt -59.91 -42.05 88.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.216 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.556 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 98.9 m -58.56 -45.75 88.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.056 0.455 . . . . 0.0 109.818 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.92 -42.22 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.557 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.0 mt -59.96 -43.25 95.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.21 -42.22 92.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.56 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -59.8 -39.56 85.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.759 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.466 ' CD2' ' NE2' ' C' ' 98' ' ' HIS . 35.8 mt -62.15 -41.44 98.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.829 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.557 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 75.6 m80 -60.02 -40.44 89.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.78 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' B' ' 102' ' ' LYS . 81.1 tt0 -63.9 -38.4 90.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.142 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -62.94 -39.8 95.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.177 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.45 -42.28 99.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.406 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.3 mttt -91.78 142.54 27.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.39 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.57 -179.714 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -57.6 -38.04 74.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.628 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' C' ' 6' ' ' GLU . 96.9 mt-10 -62.41 -68.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.375 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' C' ' 3' ' ' GLU . 98.5 mt -37.97 -39.44 0.38 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.449 -179.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.4 -47.35 79.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.859 0.361 . . . . 0.0 110.396 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' C' ' 3' ' ' GLU . 71.2 mm-40 -66.65 -37.24 84.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.354 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.9 t -63.39 -42.01 94.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.387 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 74.7 t -60.63 -45.1 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.012 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.04 -40.52 85.32 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.11 -42.3 96.64 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.8 -42.84 99.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.321 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.07 -44.3 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.688 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.4 HG22 HD13 ' C' ' 13' ' ' ILE . 88.5 mt -62.87 -44.12 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.057 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.01 -46.73 89.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.819 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 67.4 m -59.33 -44.29 92.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.197 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.96 -42.02 99.77 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.25 -41.93 99.12 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.74 -49.5 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.36 -45.98 91.58 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.2 m -54.31 -43.65 71.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.45 -42.24 99.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.762 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.49 -49.3 77.84 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.463 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.5 m-85 -60.17 -42.32 94.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.477 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.47 96.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.82 89.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.524 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.67 -45.67 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.484 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -56.04 -42.57 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . 0.576 ' NE2' ' CE ' ' C' ' 40' ' ' MET . 97.8 mt-30 -60.88 -40.54 93.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.96 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.61 95.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.796 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.39 -29.72 70.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.041 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -83.02 -5.52 59.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.458 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.43 18.54 64.04 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.87 78.36 1.94 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.826 0.346 . . . . 0.0 110.317 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -65.32 -33.64 76.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.59 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.73 78.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.96 0.41 . . . . 0.0 110.644 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.41 -35.14 80.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.422 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.8 87.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.487 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.662 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.51 93.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.694 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' MET . . . . . 0.576 ' CE ' ' NE2' ' C' ' 28' ' ' GLN . 46.0 mtt -65.42 -40.62 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.572 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.557 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 19.2 mmt -62.25 -43.35 99.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.575 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.41 -45.85 91.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.443 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.7 -41.97 98.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.31 -46.69 89.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.561 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -60.55 -42.83 97.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.343 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.0 mtp -61.7 -42.66 99.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.259 0.552 . . . . 0.0 110.495 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.13 98.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.322 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.73 -39.81 91.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.731 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 51.3 t-20 -61.38 -41.57 97.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.352 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -64.92 -40.11 94.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.048 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.1 -45.38 77.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.423 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -61.5 -38.5 87.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.302 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 41.1 mt -61.73 -43.37 98.99 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.311 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -64.03 -43.87 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.015 0.436 . . . . 0.0 109.977 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.537 HE22 ' CD2' ' C' ' 74' ' ' LEU . 0.6 OUTLIER -60.23 -41.92 94.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.237 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 76.7 m -56.37 -44.17 79.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.176 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.92 -40.15 95.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.496 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.82 -30.76 71.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.414 HD13 HG23 ' C' ' 59' ' ' ILE . 96.6 mt -86.68 -31.23 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.8 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.516 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 78.3 mm-40 -83.14 -8.87 59.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.439 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.94 142.02 45.84 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -92.07 -1.76 57.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.849 0.357 . . . . 0.0 110.508 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.46 53.02 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.486 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.42 119.81 6.64 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . 0.588 ' C ' ' H ' ' C' ' 67' ' ' LYS . 83.7 tt0 -91.74 105.69 17.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.762 0.315 . . . . 0.0 110.61 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.84 -35.77 0.23 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.588 ' H ' ' C ' ' C' ' 65' ' ' GLU . 99.6 mttt -78.71 139.36 38.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.641 0.258 . . . . 0.0 110.562 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 29.3 ttm -69.14 -89.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -129.1 -19.53 3.54 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 t -98.8 116.24 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.705 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.402 ' HG ' ' CD1' ' C' ' 74' ' ' LEU . 99.5 p -129.64 168.28 16.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.494 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.95 -43.22 99.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.627 -177.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.69 -47.2 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 130.181 3.393 . . . . 0.0 110.621 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.537 ' CD2' HE22 ' C' ' 55' ' ' GLN . 85.9 mt -66.68 -41.68 87.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.066 0.46 . . . . 0.0 110.943 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.61 -48.02 90.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.251 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -58.94 -45.62 89.98 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.75 96.82 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.824 0.345 . . . . 0.0 110.358 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -64.44 -40.22 95.32 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 39.0 tp -57.36 -47.87 80.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.485 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -67.35 -48.14 68.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.727 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.68 -45.37 94.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.844 -178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.77 -44.41 96.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.381 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.0 p -62.67 -47.36 84.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.186 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.02 -47.77 83.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.613 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -58.52 -48.48 80.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.491 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.84 -45.35 94.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.164 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.94 -46.72 87.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.945 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.33 -45.6 93.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.113 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.94 -49.04 79.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 0.0 110.13 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.36 -41.49 93.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.147 0.499 . . . . 0.0 109.984 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 32.1 mt -59.66 -42.24 87.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.39 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.557 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 98.1 m -58.23 -45.92 86.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.065 0.459 . . . . 0.0 109.918 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.84 -42.25 99.67 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.0 mt -59.94 -42.92 95.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.32 -42.22 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.602 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.05 -39.15 84.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.778 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 37.5 mt -62.19 -41.88 98.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.914 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 76.0 m80 -59.79 -40.4 88.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.794 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.482 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.5 tt0 -63.95 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.159 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.79 -39.76 95.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.209 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.54 -42.51 99.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.256 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.3 mttt -91.41 142.78 27.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.527 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.512 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.5 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 121.89 0.852 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.461 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.71 142.97 36.84 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.02 156.23 38.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.046 -1.034 . . . . 0.0 109.558 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.1 149.17 28.51 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.16 152.31 18.94 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.04 -1.037 . . . . 0.0 108.434 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.8 144.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.7 136.66 36.92 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.144 0.973 . . . . 0.0 110.125 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -85.03 114.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.92 -4.28 19.29 Favored 'General case' 0 C--N 1.265 -3.106 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.914 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.77 85.66 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 119.658 -1.901 . . . . 0.0 110.591 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -45.39 -47.7 12.62 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 124.72 3.613 . . . . 0.0 114.181 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.559 ' C ' HD21 ' D' ' 312' ' ' ASN . 0.1 OUTLIER -102.13 27.52 6.58 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 116.075 -2.25 . . . . 0.0 108.779 179.407 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.52 -145.21 48.85 Favored Glycine 0 N--CA 1.496 2.697 0 C-N-CA 117.74 -2.172 . . . . 0.0 109.623 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.4 tp -97.58 80.67 2.85 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.866 -1.373 . . . . 0.0 109.555 -176.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.502 ' CD2' ' OD1' ' D' ' 312' ' ' ASN . 2.7 p80 -83.15 174.46 10.78 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 117.896 -1.522 . . . . 0.0 112.132 -178.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.522 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.8 p -30.5 -69.03 0.07 Allowed 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 117.277 2.325 . . . . 0.0 117.277 -176.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.522 ' N ' ' OG1' ' D' ' 316' ' ' THR . 4.2 tpt85 -48.71 -60.57 4.36 Favored Pre-proline 0 N--CA 1.494 1.73 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.529 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.13 -32.28 63.82 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.937 1.758 . . . . 0.0 111.485 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.85 86.76 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.476 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.78 72.73 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.89 -39.44 94.2 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 118.036 -1.466 . . . . 0.0 109.504 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.551 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.66 -45.36 93.16 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 122.61 1.195 . . . . 0.0 108.651 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . 0.618 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 53.0 t -62.68 -42.17 95.07 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.285 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.649 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -63.98 -40.23 95.92 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.268 -0.895 . . . . 0.0 109.751 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.66 80.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.49 -0.756 . . . . 0.0 109.578 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.02 91.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.645 -1.284 . . . . 0.0 109.411 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . 0.618 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.3 mttp -61.35 -16.23 44.13 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.337 -0.852 . . . . 0.0 113.264 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.55 86.1 Favored Glycine 0 N--CA 1.479 1.541 0 O-C-N 119.946 -1.721 . . . . 0.0 109.344 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.408 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.48 143.34 32.84 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.295 -1.709 . . . . 0.0 109.944 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.67 -30.03 59.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.206 -0.934 . . . . 0.0 112.293 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.83 158.59 10.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 119.765 -1.835 . . . . 0.0 112.796 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.98 130.16 35.25 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 102.827 -3.027 . . . . 0.0 102.827 171.295 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.65 136.53 60.54 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 O-C-N 121.101 -1.0 . . . . 0.0 109.34 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.404 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.7 m -124.84 143.23 50.93 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-O 123.041 1.401 . . . . 0.0 110.015 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.404 ' N ' HG23 ' D' ' 334' ' ' THR . 85.8 t -108.16 129.92 61.59 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.754 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 173.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 68.8 m -127.45 119.69 26.68 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.898 -1.126 . . . . 0.0 108.894 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.67 122.57 39.1 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.507 -0.746 . . . . 0.0 109.921 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 39.05 24.51 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.917 -1.114 . . . . 0.0 112.797 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 10.98 83.66 Favored Glycine 0 N--CA 1.502 3.047 0 O-C-N 119.97 -1.706 . . . . 0.0 112.572 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.81 136.3 54.52 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.81 158.54 33.13 Favored 'General case' 0 C--N 1.275 -2.671 0 CA-C-O 123.8 1.762 . . . . 0.0 112.424 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.36 31.31 Favored 'General case' 0 C--N 1.279 -2.497 0 CA-C-N 112.501 -2.136 . . . . 0.0 108.604 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.665 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.59 136.02 48.9 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 105.553 -2.018 . . . . 0.0 105.553 173.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.01 -6.81 47.94 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.69 -1.256 . . . . 0.0 110.753 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.665 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.45 12.93 31.57 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.679 -1.263 . . . . 0.0 109.39 -177.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 84.5 p -133.05 104.22 6.42 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 122.195 0.998 . . . . 0.0 110.091 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 43.1 tp -57.34 -37.87 73.22 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.94 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -58.9 -51.37 70.32 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.539 -1.351 . . . . 0.0 113.063 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.06 -32.38 70.46 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 119.479 -2.013 . . . . 0.0 109.262 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.8 -33.76 75.87 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.932 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.523 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 57.0 tt0 -67.7 -10.43 52.31 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.607 -0.683 . . . . 0.0 110.004 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 352' ' ' THR . . . . . 0.679 ' CG2' ' HZ3' ' C' ' 69' ' ' LYS . 34.3 p -89.75 -7.81 53.65 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.95 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.2 159.33 15.33 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.304 -0.873 . . . . 0.0 110.202 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.79 2.96 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 106.952 -2.459 . . . . 0.0 106.952 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.0 mt -119.59 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.226 0 O-C-N 120.738 -1.448 . . . . 0.0 107.453 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 69.3 p -81.45 172.52 13.42 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 118.74 -1.184 . . . . 0.0 109.259 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.67 140.91 57.29 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.879 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.24 78.89 Favored Glycine 0 N--CA 1.5 2.962 0 C-N-CA 120.002 -1.095 . . . . 0.0 111.329 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.37 135.94 34.08 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.91 -1.347 . . . . 0.0 110.622 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.59 123.72 49.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.11 160.07 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 119.973 -1.705 . . . . 0.0 110.656 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 90.2 m -108.89 128.41 54.89 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.539 -1.35 . . . . 0.0 107.619 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.93 121.38 60.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 364' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.59 147.2 50.7 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.5 47.27 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.788 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.5 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.74 6.4 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 118.561 -1.256 . . . . 0.0 108.025 178.233 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.29 40.17 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.031 -2.033 . . . . 0.0 110.385 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.62 82.58 Favored 'General case' 0 C--N 1.275 -2.631 0 CA-C-N 114.42 -0.89 . . . . 0.0 112.209 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.1 36.77 3.56 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 115.843 -2.343 . . . . 0.0 108.561 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.51 65.73 Favored 'General case' 0 N--CA 1.521 3.123 0 N-CA-C 116.871 2.174 . . . . 0.0 116.871 -174.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.511 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.93 -45.59 27.3 Favored 'General case' 0 N--CA 1.509 2.503 0 O-C-N 119.611 -1.931 . . . . 0.0 110.95 -176.538 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.781 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.56 -40.77 97.83 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.04 -49.55 77.45 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 117.464 -1.695 . . . . 0.0 110.024 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.78 -42.25 89.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 CA-C-O 122.248 1.023 . . . . 0.0 109.252 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.9 -47.9 76.6 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-O 122.101 0.953 . . . . 0.0 108.763 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.781 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.75 -38.39 76.78 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.687 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.551 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.7 mt -75.63 -28.57 58.86 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.327 -1.483 . . . . 0.0 110.863 -174.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.53 71.2 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.498 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.85 -49.35 62.64 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.21 -45.15 84.08 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.004 -1.079 . . . . 0.0 110.564 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.49 -37.31 85.48 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.893 -1.13 . . . . 0.0 111.486 -177.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.85 -31.85 61.75 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.041 -1.037 . . . . 0.0 110.275 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.92 -32.25 45.59 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.466 -0.772 . . . . 0.0 111.348 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.18 125.51 12.52 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 124.355 2.026 . . . . 0.0 112.895 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.914 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 11.1 pt-20 . . . . . 0 C--N 1.278 -2.537 0 CA-C-N 111.065 -2.789 . . . . 0.0 110.133 -177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.13 -19.38 62.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.544 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 6' ' ' GLU . 81.8 tt0 -62.15 -34.97 77.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.501 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 3' ' ' GLU . 98.3 mt -37.31 -31.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.439 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 3' ' ' GLU . 52.4 tp10 -64.41 -45.27 88.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.915 0.388 . . . . 0.0 110.33 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.7 mt-10 -66.99 -35.51 80.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.312 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.33 -42.59 95.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.8 t -60.45 -44.71 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.971 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -58.51 -42.04 86.81 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.16 97.46 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.44 -43.4 97.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.188 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.52 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.726 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.66 -44.25 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.972 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -60.81 -46.28 91.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.809 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -60.35 -43.98 95.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.924 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.13 99.09 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' CG ' HH21 ' D' ' 317' ' ' ARG . 85.5 mt-30 -63.56 -43.04 98.22 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.82 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.877 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -59.97 -47.15 86.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -53.37 -43.38 67.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.56 -42.1 99.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.734 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.86 75.89 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.78 -44.55 93.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.626 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.8 93.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.785 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.87 81.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.698 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.04 -45.22 95.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.423 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -55.73 -42.32 75.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.203 0.525 . . . . 0.0 109.585 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.58 -41.9 95.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.875 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.06 90.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.748 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.86 -29.24 70.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.181 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -81.88 -5.06 57.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.513 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.49 17.09 64.91 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -99.29 77.81 2.16 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.742 0.306 . . . . 0.0 110.305 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -65.38 -34.81 79.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.649 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.37 74.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.083 0.468 . . . . 0.0 110.733 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.62 81.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.408 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.26 80.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -62.12 -44.82 95.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.554 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.52 96.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.775 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.4 mtp -65.63 -39.76 91.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.478 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 2.5 mmt -61.73 -41.7 98.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.624 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -63.46 -41.61 98.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.975 0.417 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.74 -40.85 97.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.9 t -61.63 -45.15 95.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.562 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -60.66 -42.35 96.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.341 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.2 tpp -60.97 -43.34 98.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.221 0.534 . . . . 0.0 110.557 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.3 98.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.167 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.403 HD11 ' HE ' ' A' ' 88' ' ' ARG . 90.6 mt -66.47 -39.47 88.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.704 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -60.11 -42.81 95.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.3 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.06 -38.91 92.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.255 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.52 75.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.47 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -61.35 -39.02 89.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.432 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.75 -44.66 96.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.301 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.7 -43.11 93.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.973 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.454 ' OE1' ' CD1' ' A' ' 59' ' ' ILE . 10.2 tm0? -59.96 -44.0 94.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.212 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -56.87 -42.25 79.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.034 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.08 -39.23 91.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.954 0.407 . . . . 0.0 110.5 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.46 -29.64 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.677 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.454 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 96.7 mt -86.23 -31.61 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.795 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -79.55 -10.23 59.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.468 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.37 169.23 0.42 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.37 141.37 58.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.609 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.7 143.96 54.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.44 164.96 42.21 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.76 103.78 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.841 0.353 . . . . 0.0 110.701 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.98 -3.04 53.3 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -106.41 121.6 44.59 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.789 0.328 . . . . 0.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.8 mmm -71.46 -158.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.623 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -85.55 -8.01 58.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.481 ' CG1' ' OE1' ' B' ' 76' ' ' GLU . 2.3 m -92.09 111.28 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.788 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.505 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 84.2 p -129.97 162.68 28.12 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.6 mt -58.6 -41.73 86.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.654 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.44 -46.04 94.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.381 . . . . 0.0 110.498 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.505 ' H ' ' HG ' ' A' ' 71' ' ' SER . 91.4 mt -63.36 -41.58 98.84 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 120.983 0.421 . . . . 0.0 110.881 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 64.7 t -60.06 -46.74 93.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.223 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -58.86 -45.51 89.95 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.342 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.52 93.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.646 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.471 HE21 ' CG ' ' A' ' 82' ' ' MET . 47.4 tp60 -63.87 -41.89 97.65 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.165 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.42 -46.17 83.81 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.458 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -67.45 -47.4 70.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.752 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.51 -45.35 94.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.839 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.471 ' CG ' HE21 ' A' ' 78' ' ' GLN . 89.0 mmm -61.69 -43.75 98.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.171 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.1 p -63.37 -47.03 83.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.097 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.8 m -62.22 -48.75 78.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.432 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.61 -48.74 79.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.731 0.3 . . . . 0.0 110.572 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.55 -45.3 93.55 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.112 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.32 -49.79 76.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.811 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.403 ' HE ' HD11 ' A' ' 48' ' ' LEU . 73.8 ttp85 -58.49 -45.26 89.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.157 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -60.2 -46.94 88.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.067 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.35 -41.64 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.21 0.528 . . . . 0.0 109.842 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.49 -42.57 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.305 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.478 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 19.3 m -58.51 -45.34 89.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.022 0.439 . . . . 0.0 109.864 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.89 -41.95 99.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.599 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.517 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.7 mt -59.42 -42.99 93.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.407 HG23 HD13 ' A' ' 95' ' ' ILE . 91.0 mt -60.61 -42.57 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.536 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.62 -38.24 86.91 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.6 mt -63.14 -41.37 99.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.851 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.4 m80 -59.8 -40.45 88.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.55 -39.59 84.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.15 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.81 -36.1 82.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 80.6 mt -71.63 140.69 49.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.368 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -75.66 139.97 42.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.506 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.555 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.03 -19.7 63.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.563 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' B' ' 6' ' ' GLU . 81.0 tt0 -61.86 -35.15 77.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.447 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' B' ' 3' ' ' GLU . 96.8 mt -37.18 -30.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.489 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' B' ' 3' ' ' GLU . 52.0 tp10 -64.63 -45.22 87.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.96 0.409 . . . . 0.0 110.368 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.6 mt-10 -67.01 -35.64 80.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.175 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 78.9 t -64.23 -42.44 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.312 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.72 -44.64 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.848 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.68 -41.83 87.12 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.04 97.33 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.209 -1.157 . . . . 0.0 110.209 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.51 -43.42 97.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.4 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.6 -44.41 98.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.718 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.61 -44.2 98.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.962 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -61.16 -45.99 92.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.859 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -60.43 -43.72 96.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.078 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.43 -43.19 98.61 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.42 -43.19 98.21 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.2 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.842 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.402 ' NH1' ' CB ' ' B' ' 87' ' ' ALA . 63.4 ttm-85 -59.9 -47.13 87.01 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -53.6 -42.92 68.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.81 -42.14 99.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.685 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.81 76.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.79 -44.5 93.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.634 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.94 94.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.736 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.14 -42.95 81.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.622 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.13 -45.2 95.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.309 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -55.83 -42.37 75.62 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.58 -41.66 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.904 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.35 91.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.681 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.39 -29.66 70.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.083 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.6 -5.11 57.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.332 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.81 16.41 65.64 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -98.87 78.03 2.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.777 0.322 . . . . 0.0 110.313 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -65.73 -34.95 79.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.658 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.21 76.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.095 0.474 . . . . 0.0 110.81 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.8 82.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.423 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.02 -47.7 79.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -61.66 -45.49 93.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.522 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.99 96.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.717 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 45.9 mtp -65.4 -39.81 92.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.465 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 2.4 mmt -61.63 -41.95 98.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.582 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -63.4 -41.48 98.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.47 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.73 -41.06 98.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.225 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -61.38 -45.37 94.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.549 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -60.45 -42.37 96.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.285 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 35.8 tpp -61.06 -42.92 99.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.287 0.565 . . . . 0.0 110.62 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.04 99.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.171 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -66.71 -39.53 88.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.777 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . 0.419 ' C ' ' OD1' ' B' ' 49' ' ' ASN . 49.4 t-20 -59.93 -42.97 95.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.311 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.88 -39.49 93.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.17 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.64 -44.61 77.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.428 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.53 -38.85 88.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.301 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 44.3 mt -60.79 -44.34 96.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.326 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -66.19 -42.65 91.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 0.0 110.055 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.454 ' OE1' ' CD1' ' B' ' 59' ' ' ILE . 10.0 tm0? -60.28 -43.63 96.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.215 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -57.15 -42.93 81.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.913 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.39 -39.54 91.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.876 0.369 . . . . 0.0 110.529 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.09 -29.91 71.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.727 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.454 ' CD1' ' OE1' ' B' ' 55' ' ' GLN . 96.7 mt -86.08 -31.72 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.704 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -79.55 -10.05 59.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.536 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.38 168.6 0.49 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.02 140.99 58.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.312 . . . . 0.0 110.604 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.48 144.18 54.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.52 165.02 42.13 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -60.7 103.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.601 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.98 -3.01 53.45 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -106.41 122.09 45.56 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.643 0.259 . . . . 0.0 110.456 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mmm -72.01 -157.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.697 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -86.36 -7.3 58.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.454 ' CG1' ' OE1' ' C' ' 76' ' ' GLU . 2.7 m -93.56 111.2 24.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.792 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.505 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 91.2 p -129.69 164.34 24.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.551 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.62 -41.81 95.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.545 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 75.0 t -63.27 -45.37 98.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.645 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.505 ' H ' ' HG ' ' B' ' 71' ' ' SER . 90.0 mt -63.69 -41.29 98.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.14 -47.19 93.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.296 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.481 ' OE1' ' CG1' ' A' ' 70' ' ' VAL . 81.6 tt0 -58.58 -45.92 88.05 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.26 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.54 95.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.916 0.388 . . . . 0.0 110.406 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.473 HE21 ' CG ' ' B' ' 82' ' ' MET . 47.1 tp60 -63.78 -41.84 97.87 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 45.6 tp -57.51 -46.13 84.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.375 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -67.51 -47.45 69.93 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.694 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.41 -45.5 94.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' MET . . . . . 0.473 ' CG ' HE21 ' B' ' 78' ' ' GLN . 89.3 mmm -61.48 -44.17 97.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.2 p -62.69 -47.2 84.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.141 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 71.0 m -62.18 -48.74 78.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.622 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -58.74 -48.84 79.78 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.471 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.44 -45.32 93.62 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.129 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . 0.402 ' CB ' ' NH1' ' B' ' 19' ' ' ARG . . . -59.3 -49.91 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.877 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 73.8 ttp85 -58.46 -45.09 89.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.262 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -60.32 -47.07 87.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.16 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.26 -41.3 94.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.1 0.476 . . . . 0.0 110.009 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.76 -42.56 92.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.223 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.465 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 19.5 m -58.47 -45.44 88.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.083 0.468 . . . . 0.0 109.857 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.79 -42.25 99.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.498 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.498 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.4 mt -59.14 -43.17 91.99 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.41 -42.72 92.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.554 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.26 -38.58 87.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.763 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.2 mt -62.98 -41.04 99.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.854 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.498 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.5 m80 -59.96 -40.42 89.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.104 0.478 . . . . 0.0 109.811 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -59.61 -39.49 84.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.054 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.09 -35.96 82.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.176 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 81.4 mt -71.66 140.81 49.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.373 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -75.87 140.09 42.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.556 -179.885 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.68 -19.26 63.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' C' ' 6' ' ' GLU . 81.7 tt0 -62.04 -35.02 77.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.356 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' C' ' 3' ' ' GLU . 97.4 mt -37.27 -30.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.371 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' C' ' 3' ' ' GLU . 51.9 tp10 -65.13 -44.8 87.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 110.377 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.6 mt-10 -67.31 -35.46 79.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.329 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.25 -42.64 96.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.362 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.52 -44.52 96.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.942 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.0 mtp -58.9 -42.04 88.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.49 97.83 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.1 -43.63 97.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.395 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.36 -44.58 99.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.689 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.38 -44.01 98.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.053 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -61.34 -46.33 90.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.839 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -60.04 -44.05 94.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.146 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.87 99.02 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -63.58 -43.09 97.98 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.19 -49.86 75.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.802 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.404 ' NH1' ' CB ' ' C' ' 87' ' ' ALA . 63.5 ttm-85 -59.99 -46.84 88.13 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -53.5 -43.2 68.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.85 -42.38 99.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.712 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.84 76.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.85 -44.52 94.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.545 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.69 94.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.706 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.27 -42.98 82.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.605 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.96 -45.25 95.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.429 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -56.03 -42.3 76.3 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.55 -41.55 94.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.115 0.483 . . . . 0.0 109.898 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.45 92.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.784 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.56 -29.17 69.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.075 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.83 -5.14 57.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.413 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.73 16.81 64.97 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -99.08 78.12 2.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.708 0.29 . . . . 0.0 110.262 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -65.63 -34.58 78.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.591 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.48 -49.02 75.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.076 0.465 . . . . 0.0 110.707 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.4 81.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.464 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -47.64 77.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -61.6 -45.27 94.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.603 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.02 95.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.733 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 46.5 mtp -65.16 -39.99 93.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.478 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 2.4 mmt -61.59 -41.82 97.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.594 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -63.39 -41.79 98.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.51 -41.0 98.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.293 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -61.3 -45.49 94.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.66 -42.07 96.3 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.387 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 36.1 tpp -61.07 -43.73 98.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.332 0.586 . . . . 0.0 110.523 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.45 98.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.291 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.47 -39.75 88.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.704 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 50.7 t-20 -59.91 -42.93 94.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.375 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.65 -39.59 93.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.035 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.71 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.405 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.39 -39.16 89.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.301 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.72 -44.11 97.04 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.319 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.09 -43.1 92.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.451 . . . . 0.0 109.967 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.459 ' OE1' ' CD1' ' C' ' 59' ' ' ILE . 9.8 tm0? -59.92 -43.73 94.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.238 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -57.2 -42.59 81.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.158 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -39.07 90.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.357 . . . . 0.0 110.481 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.43 -29.5 70.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.459 ' CD1' ' OE1' ' C' ' 55' ' ' GLN . 96.9 mt -86.38 -31.67 6.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.858 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.523 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.7 mm-40 -79.76 -10.19 59.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.25 169.17 0.4 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.5 141.33 58.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.863 0.363 . . . . 0.0 110.553 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.57 144.32 54.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.408 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.62 165.3 42.22 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -61.09 104.1 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.72 -2.8 52.91 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -106.46 122.13 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.589 0.233 . . . . 0.0 110.617 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mmm -72.32 -157.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.542 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.679 ' HZ3' ' CG2' ' D' ' 352' ' ' THR . 99.2 mttt -86.31 -7.36 58.55 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 m -93.34 110.73 23.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.667 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.498 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 90.1 p -128.18 166.81 17.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.492 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.41 -41.41 98.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.682 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 73.8 t -64.18 -46.03 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 130.061 3.344 . . . . 0.0 110.668 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.498 ' H ' ' HG ' ' C' ' 71' ' ' SER . 87.1 mt -65.42 -40.82 93.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.09 0.471 . . . . 0.0 110.981 177.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.64 -47.82 91.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.17 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.454 ' OE1' ' CG1' ' B' ' 70' ' ' VAL . 80.8 tt0 -58.41 -46.0 87.31 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.305 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.66 95.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.862 0.363 . . . . 0.0 110.435 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . 0.484 HE21 ' CG ' ' C' ' 82' ' ' MET . 47.3 tp60 -63.72 -41.69 98.04 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.264 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 45.2 tp -57.57 -46.3 84.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.503 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -67.46 -47.3 70.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.737 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.56 -45.58 93.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.748 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' MET . . . . . 0.484 ' CG ' HE21 ' C' ' 78' ' ' GLN . 89.5 mmm -61.56 -43.86 98.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.305 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 22.3 p -63.03 -47.05 84.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.195 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 71.3 m -62.3 -48.64 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.597 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.79 -48.49 81.09 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.7 0.286 . . . . 0.0 110.526 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.94 -45.34 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.096 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . 0.404 ' CB ' ' NH1' ' C' ' 19' ' ' ARG . . . -59.23 -49.88 76.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.918 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -58.26 -45.5 87.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.249 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -59.84 -47.25 86.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.14 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.1 -41.45 94.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.181 0.515 . . . . 0.0 110.091 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -60.76 -42.17 91.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.347 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.478 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 19.1 m -58.91 -45.01 91.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.136 0.493 . . . . 0.0 109.957 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.17 -42.09 99.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.455 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.516 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.4 mt -59.19 -42.97 92.12 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.412 HD13 HG23 ' C' ' 95' ' ' ILE . 89.9 mt -60.68 -42.69 92.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.565 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.11 -38.67 87.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.707 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.79 -41.4 99.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.853 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.8 m80 -59.94 -40.36 88.68 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.71 -39.51 84.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.103 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.89 -35.85 82.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.251 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 81.4 mt -71.9 140.61 49.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.333 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -75.61 140.1 42.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.52 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.571 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.505 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 121.965 0.888 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.86 143.04 36.56 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.22 38.37 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.974 -1.078 . . . . 0.0 109.568 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.11 149.2 28.54 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.33 18.92 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.967 -1.083 . . . . 0.0 108.42 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.87 144.36 19.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.77 136.62 37.05 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.152 0.977 . . . . 0.0 110.113 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.99 114.3 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.78 -4.34 19.44 Favored 'General case' 0 C--N 1.265 -3.08 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.911 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.77 85.68 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 119.644 -1.91 . . . . 0.0 110.634 178.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.4 -47.8 12.5 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 124.756 3.637 . . . . 0.0 114.142 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.678 HD21 ' CD2' ' C' ' 52' ' ' HIS . 11.1 m120 -102.06 27.56 6.5 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 116.029 -2.268 . . . . 0.0 108.77 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.03 -142.19 47.56 Favored Glycine 0 N--CA 1.496 2.664 0 C-N-CA 117.722 -2.18 . . . . 0.0 109.591 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.3 tp -88.7 72.65 8.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.849 -1.383 . . . . 0.0 109.489 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.616 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.2 p80 -64.55 176.21 1.18 Allowed 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 117.914 -1.515 . . . . 0.0 112.124 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 30.8 p -41.5 -66.2 0.36 Allowed 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 117.208 2.299 . . . . 0.0 117.208 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.452 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 5.3 tmm_? -57.21 -50.9 85.55 Favored Pre-proline 0 N--CA 1.493 1.717 0 C-N-CA 120.116 -0.633 . . . . 0.0 112.504 -177.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.3 -32.17 61.99 Favored 'Trans proline' 0 N--CA 1.484 0.95 0 C-N-CA 120.64 0.893 . . . . 0.0 111.465 -178.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.79 86.51 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.18 -0.95 . . . . 0.0 109.502 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.98 -39.67 72.37 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -63.99 -39.31 93.84 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 117.91 -1.516 . . . . 0.0 109.522 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.55 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.34 93.23 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.621 1.2 . . . . 0.0 108.694 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.69 -42.22 95.28 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.612 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . 0.441 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 97.0 mttt -63.96 -40.26 96.02 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.171 -0.955 . . . . 0.0 109.721 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.462 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.77 -39.57 80.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.434 -0.791 . . . . 0.0 109.641 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.04 91.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.615 -1.303 . . . . 0.0 109.409 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.37 -16.14 43.29 Favored 'General case' 0 N--CA 1.512 2.636 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.92 -10.6 86.1 Favored Glycine 0 N--CA 1.479 1.56 0 O-C-N 119.855 -1.778 . . . . 0.0 109.28 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.49 143.36 32.82 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.291 -1.711 . . . . 0.0 110.003 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.5 p -75.61 -30.06 59.42 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.307 -0.871 . . . . 0.0 112.333 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.72 158.52 10.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.81 -1.806 . . . . 0.0 112.794 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.574 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.97 130.3 35.41 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 102.828 -3.027 . . . . 0.0 102.828 171.218 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.63 60.25 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.434 0 CA-C-O 122.206 1.003 . . . . 0.0 109.25 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.406 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.6 m -125.0 143.13 51.06 Favored 'General case' 0 C--N 1.285 -2.238 0 CA-C-O 123.084 1.421 . . . . 0.0 110.005 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.406 ' N ' HG23 ' D' ' 334' ' ' THR . 87.1 t -108.05 129.98 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.732 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 173.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 69.9 m -127.51 119.56 26.32 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.895 -1.128 . . . . 0.0 108.954 -178.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.54 39.13 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.936 177.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.78 38.96 24.51 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.877 -1.139 . . . . 0.0 112.746 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.08 83.52 Favored Glycine 0 N--CA 1.503 3.164 0 O-C-N 119.953 -1.717 . . . . 0.0 112.511 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.85 136.28 54.54 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.83 158.56 33.12 Favored 'General case' 0 C--N 1.275 -2.634 0 CA-C-O 123.832 1.777 . . . . 0.0 112.384 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.42 31.46 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 112.413 -2.176 . . . . 0.0 108.635 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.666 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 7.9 t -70.63 135.95 48.78 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.98 -6.75 47.49 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.721 -1.237 . . . . 0.0 110.734 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.666 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.51 13.01 31.43 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.679 -1.263 . . . . 0.0 109.374 -177.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.3 p -133.08 104.09 6.35 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 122.132 0.968 . . . . 0.0 110.088 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 56.3 tp -57.2 -37.88 72.86 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.948 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . 0.404 ' CD2' ' HE2' ' C' ' 69' ' ' LYS . 44.2 m-85 -58.9 -51.44 70.03 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.574 -1.329 . . . . 0.0 113.028 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.45 70.63 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 119.523 -1.985 . . . . 0.0 109.184 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.81 -33.77 75.89 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 118.956 -1.098 . . . . 0.0 109.907 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.507 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 54.8 tt0 -67.71 -10.41 52.19 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.643 -0.661 . . . . 0.0 109.934 -177.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.9 p -89.77 -7.72 53.81 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 118.138 -1.425 . . . . 0.0 110.888 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . 0.5 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.2 mt -93.4 159.33 15.3 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.187 -0.946 . . . . 0.0 110.178 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.82 2.96 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 106.962 -2.455 . . . . 0.0 106.962 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 84.4 mt -119.54 47.37 1.72 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.735 -1.45 . . . . 0.0 107.386 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 5.9 p -81.43 172.57 13.37 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 118.764 -1.174 . . . . 0.0 109.218 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -60.7 140.9 57.34 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.867 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.18 79.09 Favored Glycine 0 N--CA 1.5 2.954 0 C-N-CA 120.076 -1.059 . . . . 0.0 111.391 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.39 135.9 34.09 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.94 -1.329 . . . . 0.0 110.696 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.49 123.66 48.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.13 160.09 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 C-N-CA 117.425 -1.71 . . . . 0.0 110.62 178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 88.9 m -108.89 128.3 54.8 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 120.587 -1.321 . . . . 0.0 107.639 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.78 121.39 60.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 176.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.402 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.33 50.71 Favored 'General case' 0 C--N 1.286 -2.189 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -179.547 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.46 47.12 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 118.466 -1.294 . . . . 0.0 109.699 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.505 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.79 6.42 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 118.553 -1.259 . . . . 0.0 108.062 178.169 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.25 -170.36 40.18 Favored Glycine 0 C--N 1.296 -1.654 0 C-N-CA 117.99 -2.052 . . . . 0.0 110.334 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.59 82.63 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.402 -0.899 . . . . 0.0 112.174 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.1 36.84 3.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 118.963 -2.336 . . . . 0.0 108.543 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.49 -33.42 65.96 Favored 'General case' 0 N--CA 1.521 3.115 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.455 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.62 27.28 Favored 'General case' 0 N--CA 1.508 2.453 0 O-C-N 119.628 -1.92 . . . . 0.0 110.965 -176.616 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.781 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.62 -40.68 97.53 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.41 77.95 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.486 -1.686 . . . . 0.0 110.047 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.88 -42.28 88.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 CA-C-O 122.243 1.021 . . . . 0.0 109.212 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.8 -47.96 76.23 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-O 122.068 0.937 . . . . 0.0 108.758 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.781 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.8 -38.28 76.57 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.7 -178.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.2 mt -75.63 -28.57 58.85 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.38 -1.45 . . . . 0.0 110.865 -174.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.56 71.14 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.42 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.76 -49.31 63.17 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.462 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.23 -45.25 84.05 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.523 177.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.34 -37.38 85.43 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.9 -1.125 . . . . 0.0 111.546 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.73 61.61 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.092 -1.005 . . . . 0.0 110.314 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.91 -32.37 45.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.558 -0.714 . . . . 0.0 111.325 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.06 125.46 12.24 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 124.341 2.02 . . . . 0.0 112.879 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.911 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.1 mt-10 . . . . . 0 C--N 1.277 -2.571 0 CA-C-N 111.167 -2.742 . . . . 0.0 110.111 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.17 -36.01 72.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.493 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.5 mt-10 -58.1 -76.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.492 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 3' ' ' GLU . 60.4 mt -38.07 -38.83 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.48 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -64.27 -47.26 80.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.928 0.394 . . . . 0.0 110.273 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 3' ' ' GLU . 82.6 tt0 -66.91 -38.06 85.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.232 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.9 t -62.91 -42.74 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.404 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.0 t -59.89 -45.6 94.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.933 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mtp -58.86 -41.66 87.53 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.87 -42.37 97.0 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.06 -42.62 99.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.199 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.94 -44.29 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.779 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.441 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 86.0 mt -63.46 -44.09 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.956 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -61.21 -46.63 89.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.816 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -60.28 -44.35 95.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.22 99.33 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.1 -43.28 98.92 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.02 78.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.72 -45.32 94.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.24 -45.05 80.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.743 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.82 -48.63 77.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.9 -40.24 88.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.554 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.78 88.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.782 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.63 89.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.727 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.28 -45.17 95.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.434 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.11 -42.1 76.31 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.11 -41.4 96.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.817 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.59 93.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.681 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -61.4 -28.72 69.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.133 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.3 -6.01 58.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.449 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 15.01 68.68 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.68 78.4 2.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.8 0.333 . . . . 0.0 110.314 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -65.99 -34.23 77.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.69 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.25 67.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.073 0.463 . . . . 0.0 110.765 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.38 -35.86 81.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.38 80.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.568 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.33 -42.53 95.86 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.642 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.5 90.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 52.3 mtt -64.81 -41.45 95.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 98.9 mmm -63.27 -41.17 99.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.631 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -62.33 -46.46 88.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.94 0.4 . . . . 0.0 110.549 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -64.06 -41.03 97.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.154 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.48 -46.75 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.712 ' NH1' HH22 ' A' ' 88' ' ' ARG . 62.0 ttm-85 -59.63 -42.99 93.95 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.304 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.94 -42.5 99.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.225 0.536 . . . . 0.0 110.539 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.201 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.12 -39.26 89.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.704 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -60.45 -43.21 97.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.222 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.15 -39.69 93.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.235 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.3 75.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -61.73 -39.13 90.48 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.365 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 mt -61.25 -43.99 97.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.318 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.19 -43.25 92.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.002 0.43 . . . . 0.0 109.964 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.9 -43.16 98.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.186 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -58.03 -42.68 85.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.067 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.71 -38.32 89.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.945 0.402 . . . . 0.0 110.555 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -65.76 -27.45 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.636 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -90.06 -32.63 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.856 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -87.21 -7.11 58.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.98 157.54 26.76 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.596 ' OD1' ' N ' ' A' ' 63' ' ' ALA . 67.6 t0 -63.19 142.59 58.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.6 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.596 ' N ' ' OD1' ' A' ' 62' ' ' ASP . . . -61.85 138.9 58.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.525 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.45 -147.43 5.99 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -86.19 106.84 17.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.862 0.363 . . . . 0.0 110.705 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.44 -12.05 28.74 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -109.68 121.13 44.53 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-O 120.681 0.277 . . . . 0.0 110.476 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -147.46 -127.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.625 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -73.23 -80.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.1 t -96.84 116.31 38.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.703 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.509 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 96.7 p -130.45 162.93 28.07 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.0 mt -58.37 -43.49 88.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.716 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.2 t -64.22 -47.69 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.533 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.509 ' H ' ' HG ' ' A' ' 71' ' ' SER . 91.9 mt -63.81 -41.18 97.94 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.045 0.45 . . . . 0.0 110.927 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 65.4 t -59.33 -46.98 92.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.176 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -59.65 -44.24 93.62 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.315 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.97 -44.3 89.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.682 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -63.51 -41.25 98.53 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.233 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.7 tp -57.14 -46.66 82.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.445 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -67.49 -47.1 71.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.68 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.55 -45.34 94.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.852 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -61.47 -42.75 99.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.236 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.8 p -64.23 -45.62 87.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.158 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.5 p -62.68 -48.53 78.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.481 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 17.4 ttm -58.63 -47.76 83.31 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.563 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.64 -44.81 96.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.101 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.88 82.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.825 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.712 HH22 ' NH1' ' A' ' 45' ' ' ARG . 72.9 ttp85 -58.43 -45.25 88.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.115 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.5 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.2 mt-10 -61.62 -44.06 97.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.082 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.05 -42.79 96.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.167 0.508 . . . . 0.0 109.853 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.48 -41.53 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.345 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.7 m -57.0 -45.54 82.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.52 -43.57 96.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.609 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.83 -43.4 94.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.46 -43.14 96.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.549 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -61.61 -38.35 87.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.772 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.33 -41.25 98.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.836 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -60.1 -39.28 85.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.51 -39.28 93.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.167 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.577 ' NZ ' ' CD2' ' B' ' 98' ' ' HIS . 98.5 mttt -64.73 -39.79 94.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.21 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.37 -41.94 96.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.409 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -82.44 142.38 31.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.522 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.819 -1.086 . . . . 0.0 110.494 179.831 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -58.04 -36.1 72.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.3 mt-10 -57.99 -76.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.466 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' B' ' 3' ' ' GLU . 60.3 mt -38.47 -38.41 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.447 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -64.24 -47.26 80.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.952 0.406 . . . . 0.0 110.335 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' B' ' 3' ' ' GLU . 82.3 tt0 -66.84 -38.01 85.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.251 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.16 -42.53 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.413 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.21 -45.21 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.887 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.19 -41.54 88.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.52 96.69 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.02 -42.58 99.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 0.0 110.322 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.41 HD13 HG23 ' B' ' 12' ' ' ILE . 92.7 mt -63.15 -44.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.702 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.31 -44.18 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.953 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -61.06 -46.91 88.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.822 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -59.85 -44.71 93.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.02 -42.32 99.67 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -62.81 -43.46 98.74 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -48.83 79.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.838 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.87 -45.18 95.55 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.45 -44.87 80.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.2 -42.09 98.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.649 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.63 -48.73 76.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.5 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 20.6 m-85 -59.84 -40.16 87.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.71 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.97 89.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.746 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.6 -42.5 88.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.563 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.5 -45.23 95.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.344 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.18 -42.02 76.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.13 -41.46 96.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.872 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.69 93.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.66 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -61.23 -28.93 69.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.115 179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.24 -6.2 58.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.414 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.07 14.8 68.51 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -98.69 78.32 2.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 110.257 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -65.83 -34.45 78.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.615 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.65 -51.53 66.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.033 0.444 . . . . 0.0 110.768 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.71 81.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.416 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.08 77.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.58 -42.91 93.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.576 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.9 90.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.66 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 51.6 mtt -64.49 -41.22 96.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.612 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.556 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.7 mmm -63.58 -41.34 98.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.584 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.06 -46.82 87.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.485 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.71 -41.1 98.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -61.37 -46.55 89.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.446 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.701 ' NH1' HH22 ' B' ' 88' ' ' ARG . 61.9 ttm-85 -60.21 -42.64 95.58 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.296 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.88 -41.99 98.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.279 0.561 . . . . 0.0 110.634 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.98 98.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.121 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.61 -38.74 87.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -60.97 -43.36 98.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.282 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.06 -39.43 93.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.165 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.71 74.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.418 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.27 -39.32 89.96 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.283 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.2 mt -61.24 -43.88 98.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.297 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.14 -43.4 92.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.027 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.86 -43.07 98.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.231 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m -58.12 -42.68 86.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.964 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.72 -38.21 89.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.547 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.09 -27.08 67.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -90.21 -32.74 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.806 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -87.21 -7.0 58.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.549 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.17 157.13 28.29 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.592 ' OD1' ' N ' ' B' ' 63' ' ' ALA . 67.2 t0 -62.8 142.44 58.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.585 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.592 ' N ' ' OD1' ' B' ' 62' ' ' ASP . . . -61.92 138.65 58.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.449 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.94 -147.93 6.17 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -85.79 106.7 17.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.585 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.86 -12.53 29.11 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -109.0 121.14 44.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.646 0.26 . . . . 0.0 110.5 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtm -147.32 -127.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.638 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -73.14 -79.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.81 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.6 t -98.59 115.92 40.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.533 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 92.5 p -129.7 164.92 22.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.455 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.79 -43.46 98.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.563 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 64.7 t -63.21 -47.09 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.533 ' H ' ' HG ' ' B' ' 71' ' ' SER . 92.8 mt -63.96 -40.89 97.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.042 0.449 . . . . 0.0 110.917 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 67.9 t -59.48 -46.95 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.266 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -59.67 -44.37 93.63 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.302 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.34 89.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.889 0.376 . . . . 0.0 110.485 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -63.36 -41.02 98.81 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.244 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 42.3 tp -57.53 -46.51 83.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.409 -179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -67.6 -47.06 70.78 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.72 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.48 -45.17 95.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.906 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.7 -43.18 99.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.216 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 18.5 p -63.65 -45.57 89.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.119 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.51 -49.22 76.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.603 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 18.3 ttm -58.01 -48.13 80.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.479 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.51 -44.85 96.33 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.87 82.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.893 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.701 HH22 ' NH1' ' B' ' 45' ' ' ARG . 73.3 ttp85 -58.51 -45.22 89.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.251 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.507 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.7 mt-10 -61.43 -44.15 97.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.148 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.14 -42.61 96.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.443 . . . . 0.0 109.991 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.57 -41.79 89.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.188 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.556 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 18.3 m -56.65 -45.98 81.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.088 0.471 . . . . 0.0 109.877 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.19 -43.63 97.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.488 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.66 -43.52 93.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.38 -43.34 96.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.555 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -61.21 -38.84 88.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.697 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.05 -41.46 98.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.842 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.577 ' CD2' ' NZ ' ' A' ' 100' ' ' LYS . 59.7 m80 -59.81 -39.5 85.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.749 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -62.4 -39.11 92.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.015 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . 0.569 ' NZ ' ' CD2' ' C' ' 98' ' ' HIS . 98.3 mttt -65.03 -39.55 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.19 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.32 -42.03 96.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -82.63 142.63 31.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.559 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.544 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.04 -35.92 72.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.4 mt-10 -58.14 -76.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.353 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' C' ' 3' ' ' GLU . 60.4 mt -38.23 -38.56 0.36 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.427 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -64.55 -46.97 80.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 110.388 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' C' ' 3' ' ' GLU . 83.7 tt0 -66.94 -38.12 85.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.315 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.07 -42.44 96.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.31 -45.53 96.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.98 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -58.9 -41.48 87.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.93 -42.78 96.72 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.7 -42.56 99.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 110.338 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.403 HG23 HD13 ' C' ' 12' ' ' ILE . 95.2 mt -62.93 -44.35 99.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.697 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.24 -44.19 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.011 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -61.12 -46.93 88.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.86 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -59.74 -44.82 93.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.154 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.71 -42.82 99.63 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.83 -43.06 99.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.87 79.63 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -60.92 -45.35 95.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -56.49 -44.78 80.98 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.96 -41.98 98.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.703 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.99 -48.75 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.507 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.1 m-85 -59.71 -39.94 86.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.529 178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.95 90.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.4 88.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.635 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.51 -45.46 94.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.431 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.1 -41.8 75.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.32 -41.48 97.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.93 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.75 92.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.867 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -61.59 -28.63 69.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.052 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -81.15 -6.04 58.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.95 14.78 68.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.6 78.01 2.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 0.0 110.289 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -65.55 -34.57 78.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.525 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.95 -51.45 66.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.071 0.463 . . . . 0.0 110.702 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.74 81.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.327 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.69 78.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.457 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.6 -42.98 93.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.517 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.92 89.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.753 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 51.7 mtt -64.57 -41.26 96.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.555 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 98.8 mmm -63.54 -41.57 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.567 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -61.82 -47.37 85.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.406 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.97 -41.48 99.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.259 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.22 -46.14 91.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.71 ' NH1' HH22 ' C' ' 88' ' ' ARG . 61.8 ttm-85 -60.64 -42.56 97.16 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.35 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.83 -42.41 99.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.352 0.596 . . . . 0.0 110.591 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.65 98.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.271 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.7 mt -65.9 -39.4 90.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.726 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -60.63 -43.49 97.45 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.377 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.68 -39.59 93.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.013 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.82 -45.63 74.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.438 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.678 ' CD2' HD21 ' D' ' 312' ' ' ASN . 84.5 t60 -61.26 -39.1 89.09 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.324 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.62 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.276 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.92 -43.55 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.029 0.442 . . . . 0.0 110.01 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -60.96 -43.13 99.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.309 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.7 m -57.74 -42.84 84.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.154 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.71 -38.12 89.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.507 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.96 -27.09 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -90.24 -32.77 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.507 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 73.3 mm-40 -87.29 -6.82 58.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.494 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.23 157.14 28.54 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.593 ' OD1' ' N ' ' C' ' 63' ' ' ALA . 67.0 t0 -63.03 142.63 58.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.916 0.389 . . . . 0.0 110.536 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . 0.593 ' N ' ' OD1' ' C' ' 62' ' ' ASP . . . -61.82 138.62 58.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.475 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.91 -147.56 6.1 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -86.18 106.98 17.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.841 0.353 . . . . 0.0 110.611 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.43 -12.49 26.57 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -108.91 121.13 44.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.649 0.262 . . . . 0.0 110.58 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 77.9 mtm -147.59 -127.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.589 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.422 ' HB3' HE22 ' D' ' 351' ' ' GLN . 64.9 mttp -73.42 -80.11 0.07 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 9.1 t -98.21 115.5 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.721 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.505 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 91.7 p -128.68 167.01 17.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.437 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.35 -42.83 99.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.669 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.38 -47.26 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 130.05 3.34 . . . . 0.0 110.647 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.505 ' H ' ' HG ' ' C' ' 71' ' ' SER . 94.4 mt -66.23 -40.6 90.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.74 -47.43 91.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.212 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.82 -44.29 94.1 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.303 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.4 89.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.796 0.331 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.13 -41.3 99.29 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 42.6 tp -57.19 -46.7 82.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.584 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.4 ' HD1' HG12 ' C' ' 12' ' ' ILE . 46.7 m170 -67.5 -46.98 71.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.768 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.41 -45.58 93.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.795 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -61.39 -42.88 99.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.341 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 18.8 p -64.23 -45.1 89.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.213 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -62.99 -48.53 78.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.403 ' HE2' HD22 ' D' ' 312' ' ' ASN . 18.3 ttm -58.44 -48.04 82.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.471 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.6 -44.81 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.169 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.88 82.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.928 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.71 HH22 ' NH1' ' C' ' 45' ' ' ARG . 73.1 ttp85 -58.57 -45.01 89.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.24 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.48 -44.33 97.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.189 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.0 -42.65 97.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.201 0.525 . . . . 0.0 110.043 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 77.1 mt -60.53 -41.71 88.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.374 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.555 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 18.3 m -56.78 -45.77 81.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.08 0.467 . . . . 0.0 109.981 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.47 -43.2 98.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.575 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.03 -43.4 95.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.46 -43.16 96.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.557 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -61.21 -38.76 87.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.797 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 39.8 mt -62.02 -41.78 98.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.921 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.569 ' CD2' ' NZ ' ' B' ' 100' ' ' LYS . 60.6 m80 -59.47 -39.86 85.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.801 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.23 -39.03 91.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.096 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.83 -39.92 94.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.205 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.13 -42.21 96.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.319 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -82.34 142.61 31.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.478 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.583 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.505 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 121.893 0.854 . . . . 0.0 108.951 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.79 142.98 36.68 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.488 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.94 156.28 38.59 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.005 -1.059 . . . . 0.0 109.516 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.07 149.25 28.62 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.23 152.24 19.04 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.021 -1.049 . . . . 0.0 108.393 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.81 144.36 19.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.66 136.6 36.96 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 122.178 0.99 . . . . 0.0 110.137 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -85.0 114.32 24.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.86 -4.2 19.48 Favored 'General case' 0 C--N 1.267 -3.016 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.913 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.77 85.64 Favored Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 119.707 -1.871 . . . . 0.0 110.683 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -45.46 -47.64 12.85 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 124.772 3.648 . . . . 0.0 114.163 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.13 27.54 6.57 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 116.062 -2.255 . . . . 0.0 108.815 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.04 -142.08 48.39 Favored Glycine 0 N--CA 1.497 2.732 0 C-N-CA 117.688 -2.196 . . . . 0.0 109.608 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.6 tp -90.08 68.07 7.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.934 -1.333 . . . . 0.0 109.494 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.608 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.3 p80 -58.33 176.91 0.15 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 117.851 -1.54 . . . . 0.0 112.152 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 3.0 p -44.06 -65.44 0.51 Allowed 'General case' 0 N--CA 1.505 2.317 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 -176.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.486 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.3 tmt_? -56.16 -51.11 83.31 Favored Pre-proline 0 N--CA 1.493 1.711 0 C-N-CA 120.185 -0.606 . . . . 0.0 112.457 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.14 -32.2 63.74 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 120.584 0.856 . . . . 0.0 111.543 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.98 -38.88 86.86 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.176 -0.953 . . . . 0.0 109.486 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.94 -39.64 72.53 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -64.0 -39.41 94.05 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 118.024 -1.471 . . . . 0.0 109.476 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.55 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.67 -45.35 93.22 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.584 1.183 . . . . 0.0 108.677 -177.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.68 -42.18 95.11 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.68 -179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.91 -40.26 96.08 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.308 -0.87 . . . . 0.0 109.779 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.46 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.71 80.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.429 -0.794 . . . . 0.0 109.623 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.02 91.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.588 -1.32 . . . . 0.0 109.382 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.3 -16.17 42.98 Favored 'General case' 0 N--CA 1.512 2.632 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.99 -10.48 86.23 Favored Glycine 0 N--CA 1.479 1.512 0 O-C-N 119.926 -1.734 . . . . 0.0 109.34 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.53 143.31 32.89 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.323 -1.693 . . . . 0.0 110.0 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.52 -30.16 59.7 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.154 -0.966 . . . . 0.0 112.303 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.84 158.57 10.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 119.826 -1.796 . . . . 0.0 112.789 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.26 35.44 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 102.853 -3.018 . . . . 0.0 102.853 171.265 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.77 136.63 60.26 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 CA-C-O 122.216 1.007 . . . . 0.0 109.258 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.408 HG23 ' N ' ' D' ' 335' ' ' VAL . 94.0 m -124.97 143.22 51.0 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-O 123.1 1.429 . . . . 0.0 109.984 178.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.408 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.08 129.98 61.37 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.731 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 173.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 70.9 m -127.47 119.55 26.34 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.887 -1.133 . . . . 0.0 108.979 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.52 122.73 39.6 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.525 -0.734 . . . . 0.0 109.907 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.64 39.01 24.16 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.879 -1.138 . . . . 0.0 112.764 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 10.99 83.6 Favored Glycine 0 N--CA 1.502 3.044 0 O-C-N 119.956 -1.715 . . . . 0.0 112.533 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.82 136.3 54.53 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 177.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.79 158.57 33.02 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.784 1.754 . . . . 0.0 112.458 -176.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.37 31.32 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 112.49 -2.141 . . . . 0.0 108.572 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.666 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.6 136.02 48.88 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.01 -6.73 47.45 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.705 -1.247 . . . . 0.0 110.735 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.666 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.63 12.99 31.71 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.651 -1.281 . . . . 0.0 109.364 -177.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.1 t -133.06 104.15 6.38 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.241 1.019 . . . . 0.0 110.167 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.9 tp -57.21 -37.91 72.91 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.952 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -58.9 -51.36 70.36 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.618 -1.301 . . . . 0.0 113.039 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.11 -32.37 70.37 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.512 -1.992 . . . . 0.0 109.254 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.8 -33.78 75.91 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.989 -177.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.562 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 68.8 tp60 -67.59 -10.48 52.35 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.697 -0.627 . . . . 0.0 109.96 -177.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.7 p -89.87 -7.63 53.79 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 118.124 -1.43 . . . . 0.0 110.849 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . 0.499 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.9 mt -93.43 159.32 15.3 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.185 -0.947 . . . . 0.0 110.157 -178.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.85 2.97 Favored Glycine 0 N--CA 1.484 1.865 0 N-CA-C 106.923 -2.471 . . . . 0.0 106.923 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.64 47.39 1.73 Allowed 'General case' 0 C--N 1.309 -1.163 0 O-C-N 120.694 -1.474 . . . . 0.0 107.431 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 68.8 p -81.42 172.57 13.38 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.758 -1.177 . . . . 0.0 109.305 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.68 140.92 57.3 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.844 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.38 -3.1 79.08 Favored Glycine 0 N--CA 1.501 3.014 0 C-N-CA 120.007 -1.092 . . . . 0.0 111.329 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.5 135.93 34.03 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.924 -1.339 . . . . 0.0 110.597 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.8 t -96.56 123.68 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.1 160.08 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.417 -1.713 . . . . 0.0 110.602 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 89.7 m -108.91 128.38 54.87 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.491 -1.38 . . . . 0.0 107.631 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.88 121.41 60.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.403 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.25 50.72 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -179.579 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.38 47.18 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.696 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.505 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.83 6.45 Favored 'General case' 0 C--N 1.288 -2.076 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.013 178.133 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.23 40.14 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 118.014 -2.041 . . . . 0.0 110.353 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.45 -40.62 83.1 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.361 -0.92 . . . . 0.0 112.155 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.07 36.84 3.53 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 115.895 -2.322 . . . . 0.0 108.586 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.43 -33.48 65.88 Favored 'General case' 0 N--CA 1.521 3.12 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 -174.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.462 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.6 27.28 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 119.545 -1.972 . . . . 0.0 110.982 -176.569 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.775 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.73 97.8 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.52 77.56 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 117.481 -1.688 . . . . 0.0 110.001 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 65.9 t -66.88 -42.17 88.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.234 1.016 . . . . 0.0 109.268 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.94 -47.86 76.81 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 122.1 0.953 . . . . 0.0 108.783 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.775 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.85 -38.22 76.4 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.747 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.65 -28.61 58.81 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.372 -1.455 . . . . 0.0 110.899 -174.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.31 62.73 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.46 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.2 -45.15 84.04 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 118.987 -1.085 . . . . 0.0 110.605 177.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.41 -37.38 85.56 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.835 -1.166 . . . . 0.0 111.521 -177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.86 61.67 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.155 -0.965 . . . . 0.0 110.28 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.8 -32.33 46.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.554 -0.716 . . . . 0.0 111.401 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.97 125.43 12.01 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.31 2.005 . . . . 0.0 112.879 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.913 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.1 tt0 . . . . . 0 C--N 1.278 -2.532 0 CA-C-N 111.141 -2.754 . . . . 0.0 110.097 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.74 -36.12 71.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 6' ' ' GLU . 84.7 tt0 -62.15 -71.25 0.16 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.404 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 3' ' ' GLU . 96.0 mt -38.03 -38.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.434 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.52 -47.36 79.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.919 0.39 . . . . 0.0 110.315 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.4 mt-10 -67.06 -36.57 82.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.231 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.07 -42.01 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.365 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.4 t -60.37 -45.12 97.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.952 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -58.83 -41.15 86.2 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.54 97.41 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.96 -43.51 98.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.212 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.08 -44.23 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.843 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.81 -44.39 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.001 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.416 ' C ' ' OD1' ' A' ' 14' ' ' ASN . 48.6 t-20 -61.74 -46.59 88.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.756 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.494 ' OG ' ' OG ' ' A' ' 84' ' ' SER . 37.1 t -60.1 -44.42 94.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.016 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.05 -42.4 99.61 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.054 -1.219 . . . . 0.0 110.054 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.89 -42.29 97.52 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -49.53 76.99 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.27 -46.22 90.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -54.24 -44.04 71.4 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.5 -42.71 98.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.677 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.64 -49.69 76.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.43 -41.9 90.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.598 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.4 90.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.776 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.3 89.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.702 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.65 -45.5 93.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.483 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.51 -41.57 73.29 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.07 -42.02 97.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.838 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.489 ' O ' ' NZ ' ' A' ' 102' ' ' LYS . . . -59.46 -43.71 93.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.705 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.71 -29.6 69.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.22 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -83.21 -4.94 58.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.458 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.73 16.16 77.97 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.65 81.28 3.49 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.755 0.312 . . . . 0.0 110.312 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -63.65 -34.8 78.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.71 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.982 0.42 . . . . 0.0 110.706 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.84 81.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.87 77.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.627 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -60.32 -43.36 96.44 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.662 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.84 98.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.792 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.3 mtt -65.79 -40.46 91.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.483 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 83.6 mtp -61.3 -43.98 97.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.604 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.38 -43.55 98.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.007 0.432 . . . . 0.0 110.534 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.17 -42.86 96.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.25 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.7 -48.05 83.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -59.95 -43.37 95.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.329 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.33 -42.57 98.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.125 0.488 . . . . 0.0 110.524 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.35 96.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.25 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.588 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 90.0 mt -65.21 -39.97 93.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.641 179.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -61.43 -41.81 97.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.249 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -64.61 -39.54 93.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.136 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.02 -45.69 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.462 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -61.17 -39.4 90.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.36 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' A' ' 56' ' ' THR . 41.1 mt -60.41 -43.46 96.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.331 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.58 -42.9 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.065 0.46 . . . . 0.0 110.05 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -59.48 -44.98 92.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.251 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 53' ' ' LEU . 39.9 p -57.51 -40.48 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.068 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.97 -40.9 95.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.504 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.42 -30.44 71.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.628 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.6 mt -84.98 -32.64 7.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -84.03 -9.23 58.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.62 164.73 34.01 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -82.36 115.63 21.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.601 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.27 140.5 58.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.488 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.94 -172.91 49.4 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.28 124.14 21.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.707 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.82 -11.51 69.65 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -96.08 143.36 27.29 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.743 0.306 . . . . 0.0 110.395 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.2 mtp -119.85 -162.35 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -61.2 -43.54 98.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -114.33 136.96 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.669 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.453 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 77.7 p -130.26 162.35 29.15 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -58.54 -42.85 88.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.61 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.5 t -63.12 -48.2 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.634 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.453 ' H ' ' HG ' ' A' ' 71' ' ' SER . 83.8 mt -62.75 -40.88 98.63 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.86 -47.61 90.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.148 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -58.62 -46.07 87.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.261 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.47 94.11 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.795 0.331 . . . . 0.0 110.681 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.5 -40.24 96.56 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.159 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.3 tp -58.66 -47.13 85.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.413 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -68.44 -48.55 64.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.789 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.13 -45.38 93.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.819 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.35 -44.43 97.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.159 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.6 p -62.03 -45.84 91.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.081 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.494 ' OG ' ' OG ' ' A' ' 15' ' ' SER . 72.7 m -62.37 -47.52 83.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.392 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.75 -48.01 82.67 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.64 0.257 . . . . 0.0 110.53 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.56 -44.81 96.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.87 0.367 . . . . 0.0 110.127 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.74 87.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.85 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.588 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 8.8 tmm_? -58.45 -45.55 88.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.078 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.13 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.053 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.72 -42.95 97.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.238 0.542 . . . . 0.0 109.878 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 77.7 mt -60.11 -41.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.304 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.1 m -57.31 -45.81 83.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.007 0.432 . . . . 0.0 109.883 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.61 -43.68 96.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.538 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.548 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 88.2 mt -59.67 -43.11 94.09 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.32 -42.86 95.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.594 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.16 -40.78 91.1 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.17 -42.31 99.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.908 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.548 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.3 m80 -59.21 -41.99 89.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.507 ' O ' ' O ' ' A' ' 102' ' ' LYS . 81.7 tt0 -61.46 -40.88 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.171 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -65.64 -37.58 86.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.219 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.55 -42.81 95.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.507 ' O ' ' O ' ' A' ' 99' ' ' GLU . 54.0 mtmt -94.73 142.52 27.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.536 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.544 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.99 -36.26 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 6' ' ' GLU . 84.7 tt0 -61.75 -71.22 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.049 0.452 . . . . 0.0 110.439 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' B' ' 3' ' ' GLU . 96.1 mt -38.25 -38.79 0.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.512 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.69 -46.93 80.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.882 0.372 . . . . 0.0 110.329 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.5 mt-10 -67.33 -36.4 81.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.169 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.3 -42.07 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.16 -44.99 96.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.91 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.03 -41.57 88.11 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.46 -41.72 97.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.74 -43.56 98.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.757 0.313 . . . . 0.0 110.34 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.31 -44.04 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.664 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.85 -44.61 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.918 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' B' ' 14' ' ' ASN . 49.6 t-20 -61.64 -46.74 88.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.833 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.495 ' OG ' ' OG ' ' B' ' 84' ' ' SER . 38.3 t -59.91 -44.58 94.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.135 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.76 -42.44 99.69 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.8 -42.4 97.72 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -49.56 76.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.888 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.38 -45.97 91.64 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -54.51 -44.0 72.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.43 -42.92 98.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.72 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.71 76.46 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.3 -42.0 90.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.677 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.62 90.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.715 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.48 89.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.635 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.32 -45.66 93.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.321 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.59 -41.48 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.551 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.16 -41.97 97.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.903 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.479 ' O ' ' NZ ' ' B' ' 102' ' ' LYS . . . -59.44 -43.65 93.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.706 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.73 -30.0 69.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.01 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -83.08 -4.93 58.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.32 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.9 16.11 77.74 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.55 81.5 3.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.32 . . . . 0.0 110.303 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -64.07 -34.49 78.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -47.8 82.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 110.793 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.43 -35.77 81.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.44 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.96 77.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.509 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.18 -43.31 95.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.573 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.87 98.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.724 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 60.6 mtt -65.93 -40.41 91.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.464 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 83.3 mtp -61.26 -44.06 97.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.603 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.41 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.24 -43.15 95.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.306 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -60.54 -47.83 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.541 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -60.27 -43.21 96.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.343 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.2 mmm -61.19 -42.48 98.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.309 0.576 . . . . 0.0 110.665 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.61 95.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.179 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.587 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 89.4 mt -64.97 -40.25 94.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.77 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.0 -41.96 97.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.36 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.71 -39.46 93.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.132 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.88 76.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.444 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.14 -39.18 89.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.332 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.489 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.7 mt -60.68 -43.23 97.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.314 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.7 -43.09 93.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.034 0.445 . . . . 0.0 110.022 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -59.38 -44.82 92.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.209 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.489 ' OG1' ' O ' ' B' ' 53' ' ' LEU . 40.2 p -57.63 -40.83 80.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.005 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.72 -41.16 96.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.858 0.361 . . . . 0.0 110.514 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.77 -31.26 72.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.709 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 84.3 mt -84.36 -32.74 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.769 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -84.22 -9.03 58.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.544 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.86 164.76 34.91 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -82.57 115.62 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.31 140.48 58.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.413 ' H ' ' HD2' ' B' ' 67' ' ' LYS . . . -83.93 -173.33 49.7 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.89 124.27 22.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.579 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.86 -11.4 69.73 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.413 ' HD2' ' H ' ' B' ' 64' ' ' GLY . 99.1 mttt -96.11 143.51 27.17 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.651 0.262 . . . . 0.0 110.463 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 99.4 mtp -120.13 -162.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.703 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.24 -43.42 98.9 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.791 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -115.07 136.09 52.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.821 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.471 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 57.8 p -129.34 164.1 24.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 -178.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.78 -42.93 98.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.551 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.92 -47.23 94.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.601 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.471 ' H ' ' HG ' ' B' ' 71' ' ' SER . 84.8 mt -63.51 -40.45 97.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.083 0.468 . . . . 0.0 110.964 -179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 71.6 t -60.02 -47.26 92.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.251 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -59.33 -45.96 89.92 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.264 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.76 94.48 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.896 0.379 . . . . 0.0 110.4 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -63.3 -40.76 98.24 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.171 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 53.0 tp -58.36 -46.75 85.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.39 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -68.85 -48.59 63.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.739 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.06 -45.24 94.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.36 -44.35 97.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.194 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 21.6 p -62.21 -45.61 92.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.156 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.495 ' OG ' ' OG ' ' B' ' 15' ' ' SER . 72.4 m -62.3 -47.96 81.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 64.9 ttp -58.38 -48.16 81.53 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.459 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.51 -44.85 96.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.121 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.3 88.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.843 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.587 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 8.8 tmm_? -59.0 -45.35 90.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.266 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.08 -43.51 98.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.189 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.8 -42.79 97.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.056 0.455 . . . . 0.0 110.025 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 74.7 mt -59.91 -41.82 87.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.207 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 70.8 m -56.8 -45.86 81.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.058 0.456 . . . . 0.0 109.887 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.38 -44.09 95.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.493 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.529 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 88.7 mt -59.32 -43.43 92.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.11 -43.04 95.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.543 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -59.78 -41.05 90.28 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.02 -42.72 99.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.792 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 65.0 m80 -58.77 -41.89 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' B' ' 102' ' ' LYS . 82.3 tt0 -61.51 -41.06 96.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.114 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -65.57 -37.81 87.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.22 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 37.1 mt -64.22 -42.82 96.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.425 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.505 ' O ' ' O ' ' B' ' 99' ' ' GLU . 53.7 mtmt -94.91 142.7 27.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.547 179.874 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.78 -36.16 71.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.577 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' C' ' 6' ' ' GLU . 84.6 tt0 -62.18 -71.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.346 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' C' ' 3' ' ' GLU . 95.6 mt -38.3 -38.6 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.407 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.66 -47.13 79.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 0.0 110.425 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.5 mt-10 -67.04 -36.93 83.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.314 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.48 -42.3 95.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.355 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.34 -44.92 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.972 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.2 mtp -59.03 -41.49 87.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.55 -41.69 97.77 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.69 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.396 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.407 HD13 HG23 ' C' ' 12' ' ' ILE . 96.1 mt -63.27 -44.07 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.753 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.76 -44.49 98.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.065 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' C' ' 14' ' ' ASN . 49.4 t-20 -61.71 -46.79 88.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.736 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' SER . . . . . 0.494 ' OG ' ' OG ' ' C' ' 84' ' ' SER . 39.7 t -59.88 -44.25 94.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.17 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -42.6 99.39 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -63.68 -42.15 98.07 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.26 -49.77 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.42 -46.15 91.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.4 m -54.44 -44.14 72.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.16 -42.71 99.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.673 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.74 76.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.35 -41.96 90.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.541 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.63 -41.47 90.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.695 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.0 88.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.607 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.03 -45.36 93.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.427 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.7 -41.55 73.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.14 -41.89 97.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.868 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . 0.48 ' O ' ' NZ ' ' C' ' 102' ' ' LYS . . . -59.56 -43.37 93.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.774 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.16 -29.57 69.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.088 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -83.18 -5.08 59.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.428 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.14 16.21 77.08 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.07 81.42 3.37 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.877 0.37 . . . . 0.0 110.256 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.84 -34.69 78.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -47.94 81.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.048 0.451 . . . . 0.0 110.72 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.99 81.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.365 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.7 -49.12 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.493 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -60.01 -43.42 95.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.541 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.08 97.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.728 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 59.9 mtt -65.54 -40.69 93.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 84.0 mtp -61.19 -44.07 97.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.628 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.44 -43.62 98.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.456 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.88 -43.05 97.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.4 m -60.76 -47.58 85.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.548 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -60.27 -43.29 96.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.405 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.3 -42.61 98.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.366 0.603 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.85 97.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.315 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.579 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 90.1 mt -64.98 -40.65 95.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.769 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -60.81 -41.68 96.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.354 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.55 -39.97 94.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.995 0.426 . . . . 0.0 110.011 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.67 -46.33 76.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.351 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.51 -39.2 86.92 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.359 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' C' ' 56' ' ' THR . 39.9 mt -60.91 -43.05 99.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.297 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.81 -42.96 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.062 0.458 . . . . 0.0 110.011 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -59.55 -44.91 93.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.217 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' C' ' 53' ' ' LEU . 40.6 p -57.48 -40.47 78.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.131 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.08 -41.08 95.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 0.0 110.435 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.94 -30.91 71.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.795 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 83.0 mt -84.56 -32.81 8.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.796 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.562 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.8 mm-40 -83.96 -9.2 58.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.486 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.86 165.35 33.9 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -82.83 116.02 21.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.865 0.365 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.83 140.14 57.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.453 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . 0.409 ' H ' ' HD2' ' C' ' 67' ' ' LYS . . . -83.63 -173.35 49.67 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.79 124.38 22.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 110.585 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.69 -11.43 69.91 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.409 ' HD2' ' H ' ' C' ' 64' ' ' GLY . 99.1 mttt -96.17 143.39 27.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.598 0.237 . . . . 0.0 110.559 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 99.3 mtp -120.11 -162.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.587 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.18 -43.43 98.89 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.67 135.65 53.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.716 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.461 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 54.0 p -127.93 166.21 18.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.475 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.41 -42.19 99.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.622 -177.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.22 -47.5 91.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 130.151 3.381 . . . . 0.0 110.593 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.461 ' H ' ' HG ' ' C' ' 71' ' ' SER . 88.1 mt -65.54 -40.34 92.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.081 0.467 . . . . 0.0 110.99 177.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 74.2 t -60.3 -47.54 91.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.22 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.35 -46.05 89.7 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.32 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.84 94.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.896 0.379 . . . . 0.0 110.414 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.15 -40.64 98.17 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.331 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.26 -47.15 84.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.485 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -68.56 -48.88 63.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.734 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.73 -45.2 94.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.837 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.41 -44.47 97.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.335 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 22.8 p -62.11 -45.73 92.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.204 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.494 ' OG ' ' OG ' ' C' ' 15' ' ' SER . 72.8 m -62.2 -47.86 82.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.539 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.39 -48.12 81.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.687 0.279 . . . . 0.0 110.488 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.57 -44.74 96.46 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.195 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.8 -46.35 87.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.968 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.579 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 8.8 tmm_? -59.11 -45.15 91.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.287 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.22 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.156 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.08 -42.57 96.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.193 0.52 . . . . 0.0 109.973 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.28 -41.36 86.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.353 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 75.4 m -56.9 -45.71 82.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.102 0.477 . . . . 0.0 109.963 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.93 -43.77 94.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.456 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.569 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 89.3 mt -59.41 -43.07 93.08 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.62 -42.7 95.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.613 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -59.96 -40.93 90.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.147 0.499 . . . . 0.0 109.74 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.05 -42.55 99.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.863 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 65.4 m80 -58.99 -41.89 88.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.733 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' C' ' 102' ' ' LYS . 82.7 tt0 -61.6 -40.82 96.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.124 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.67 -37.59 86.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.224 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.54 -42.75 95.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.344 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.508 ' O ' ' O ' ' C' ' 99' ' ' GLU . 53.9 mtmt -94.94 142.75 27.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.448 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.487 179.789 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.51 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 121.859 0.838 . . . . 0.0 108.925 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.8 143.0 36.65 Favored 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.35 38.68 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.007 -1.058 . . . . 0.0 109.556 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.13 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 152.38 18.9 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.114 -0.991 . . . . 0.0 108.41 178.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.9 144.28 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.65 136.62 36.92 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-O 122.132 0.967 . . . . 0.0 110.125 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.98 114.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.82 -4.34 19.39 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.91 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.47 141.86 85.94 Favored Pre-proline 0 N--CA 1.499 2.015 0 O-C-N 119.692 -1.88 . . . . 0.0 110.619 178.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.5 -47.68 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.747 3.631 . . . . 0.0 114.174 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.487 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.4 m-20 -102.16 27.62 6.51 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 116.038 -2.265 . . . . 0.0 108.743 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 58.9 -146.74 41.98 Favored Glycine 0 N--CA 1.496 2.694 0 C-N-CA 117.719 -2.182 . . . . 0.0 109.613 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.6 tp -87.43 79.56 8.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.902 -1.352 . . . . 0.0 109.517 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.644 ' HD1' ' HG1' ' D' ' 316' ' ' THR . 2.5 p80 -76.25 177.25 7.38 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 117.883 -1.527 . . . . 0.0 112.159 -178.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.644 ' HG1' ' HD1' ' D' ' 315' ' ' HIS . 6.6 p -36.14 -69.06 0.11 Allowed 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.507 ' H ' ' HG1' ' D' ' 316' ' ' THR . 7.3 tmm_? -56.18 -52.79 70.1 Favored Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 120.127 -0.629 . . . . 0.0 112.514 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.42 -32.26 60.64 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 120.768 0.979 . . . . 0.0 111.486 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.75 86.68 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.585 -179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.78 72.52 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -63.89 -39.41 94.12 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 117.924 -1.511 . . . . 0.0 109.543 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.551 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.61 -45.32 93.43 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 122.674 1.226 . . . . 0.0 108.762 -177.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . 0.617 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 67.3 t -62.67 -42.22 95.25 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.223 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.633 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . 0.439 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 97.4 mttt -63.98 -40.18 95.81 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.217 -0.927 . . . . 0.0 109.764 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.46 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.73 -39.73 80.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.432 -0.793 . . . . 0.0 109.624 177.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.0 91.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.649 -1.282 . . . . 0.0 109.468 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . 0.617 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.3 mttp -61.3 -16.28 44.03 Favored 'General case' 0 N--CA 1.511 2.599 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.84 -10.61 86.01 Favored Glycine 0 N--CA 1.48 1.605 0 O-C-N 119.948 -1.72 . . . . 0.0 109.308 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.3 32.89 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.3 -1.706 . . . . 0.0 109.977 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.4 p -75.49 -30.17 59.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.171 -0.955 . . . . 0.0 112.352 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.57 10.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 119.837 -1.789 . . . . 0.0 112.871 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.22 35.35 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 102.796 -3.039 . . . . 0.0 102.796 171.301 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.432 0 O-C-N 121.082 -1.011 . . . . 0.0 109.351 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.407 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.6 m -124.92 143.18 51.0 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-O 123.105 1.431 . . . . 0.0 110.014 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.407 ' N ' HG23 ' D' ' 334' ' ' THR . 85.7 t -108.07 130.0 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 70.9 m -127.49 119.51 26.23 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.867 -1.146 . . . . 0.0 108.977 -178.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.48 122.62 39.37 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.533 -0.729 . . . . 0.0 109.931 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 38.91 24.19 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.843 -1.161 . . . . 0.0 112.766 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.11 83.44 Favored Glycine 0 N--CA 1.503 3.117 0 O-C-N 119.998 -1.688 . . . . 0.0 112.512 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.9 136.22 54.59 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 177.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.77 158.56 33.01 Favored 'General case' 0 C--N 1.276 -2.629 0 CA-C-O 123.837 1.779 . . . . 0.0 112.375 -175.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.37 31.33 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 112.466 -2.152 . . . . 0.0 108.572 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.665 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.64 135.94 48.75 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 173.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.89 -6.82 47.67 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.794 -1.191 . . . . 0.0 110.73 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.665 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.5 13.01 31.39 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.69 -1.257 . . . . 0.0 109.359 -177.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.4 t -133.13 104.16 6.37 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 122.163 0.982 . . . . 0.0 110.116 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 58.3 tp -57.17 -37.96 72.89 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.98 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -58.92 -51.29 70.68 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.594 -1.316 . . . . 0.0 113.07 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.49 70.65 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 119.599 -1.938 . . . . 0.0 109.162 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.81 75.92 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.924 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.554 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 68.7 tp60 -67.61 -10.47 52.34 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.676 -0.64 . . . . 0.0 109.967 -177.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.0 p -89.79 -7.72 53.77 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 118.105 -1.438 . . . . 0.0 110.911 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . 0.478 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 96.3 mt -93.39 159.32 15.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.24 -0.912 . . . . 0.0 110.111 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.9 2.97 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 106.878 -2.489 . . . . 0.0 106.878 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.1 mt -119.69 47.39 1.73 Allowed 'General case' 0 C--N 1.308 -1.207 0 O-C-N 120.678 -1.483 . . . . 0.0 107.393 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 34.7 p -81.48 172.51 13.42 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.786 -1.166 . . . . 0.0 109.231 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.68 140.9 57.31 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.855 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.47 -3.21 78.85 Favored Glycine 0 N--CA 1.501 2.996 0 C-N-CA 120.034 -1.079 . . . . 0.0 111.294 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.44 135.91 34.06 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.9 -1.353 . . . . 0.0 110.61 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.47 123.75 48.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.7 m -112.21 160.11 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.297 0 C-N-CA 117.413 -1.715 . . . . 0.0 110.684 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 91.6 m -108.88 128.4 54.89 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.541 -1.349 . . . . 0.0 107.549 175.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.88 121.28 60.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.29 50.69 Favored 'General case' 0 C--N 1.285 -2.223 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.555 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.45 47.17 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 118.467 -1.293 . . . . 0.0 109.732 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.51 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.23 110.77 6.41 Favored 'General case' 0 C--N 1.287 -2.122 0 C-N-CA 118.591 -1.243 . . . . 0.0 108.038 178.17 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.3 40.16 Favored Glycine 0 C--N 1.297 -1.637 0 C-N-CA 117.952 -2.07 . . . . 0.0 110.3 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.38 -40.62 82.83 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.3 -0.95 . . . . 0.0 112.153 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 115.883 -2.327 . . . . 0.0 108.542 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.58 65.88 Favored 'General case' 0 N--CA 1.521 3.08 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -174.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.471 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.64 27.5 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 119.544 -1.973 . . . . 0.0 110.944 -176.543 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.773 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.65 97.51 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.55 77.43 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 117.459 -1.696 . . . . 0.0 110.014 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.4 t -66.83 -42.14 88.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-O 122.202 1.001 . . . . 0.0 109.26 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.97 -47.83 76.94 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 122.046 0.927 . . . . 0.0 108.725 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.773 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.78 -38.35 76.68 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.729 -178.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.551 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.2 mt -75.62 -28.57 58.89 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.475 -1.39 . . . . 0.0 110.842 -174.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.46 70.75 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.427 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.99 -49.23 62.86 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.46 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.22 -45.22 84.06 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 119.06 -1.056 . . . . 0.0 110.579 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.36 -37.38 85.47 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.943 -1.098 . . . . 0.0 111.545 -177.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.96 -31.79 61.55 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.135 -0.978 . . . . 0.0 110.228 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.91 -32.27 45.63 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.503 -0.748 . . . . 0.0 111.335 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.04 125.44 12.14 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 124.238 1.97 . . . . 0.0 112.888 178.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.91 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.9 tt0 . . . . . 0 C--N 1.277 -2.556 0 CA-C-N 111.158 -2.746 . . . . 0.0 110.106 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.77 -36.98 72.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.494 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 6' ' ' GLU . 84.1 tt0 -62.7 -69.57 0.25 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.509 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 3' ' ' GLU . 97.4 mt -38.29 -38.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.494 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.81 -47.4 78.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.939 0.4 . . . . 0.0 110.313 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.4 mt-10 -66.81 -36.68 82.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.292 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.84 -42.37 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.367 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.41 -44.68 96.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.015 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.0 mtp -59.33 -42.1 90.67 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.89 -41.95 97.18 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.45 -42.88 98.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.21 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.9 -44.27 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.765 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.439 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 89.7 mt -63.3 -43.7 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.97 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -61.65 -46.06 91.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.813 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -60.38 -44.78 95.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.002 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.33 99.3 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -63.81 -44.67 92.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.14 -49.41 77.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.892 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.45 -45.9 91.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -55.1 -43.84 74.36 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.12 -41.45 98.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.648 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.88 -48.44 79.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -60.35 -40.96 92.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.615 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.97 92.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.7 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.92 -42.59 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.653 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.43 -44.66 96.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.518 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -55.65 -42.57 75.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.12 -42.03 98.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.775 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.23 95.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.725 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.5 -29.07 69.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.101 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -79.66 -4.32 51.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.4 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 12.83 75.74 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -96.68 80.47 3.08 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.74 0.305 . . . . 0.0 110.29 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -65.12 -34.6 78.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.659 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.2 -48.41 80.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.064 0.459 . . . . 0.0 110.757 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.57 80.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.354 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.53 78.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.585 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.29 -42.39 98.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.596 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.63 98.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.774 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.72 -42.64 90.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.474 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.483 ' O ' ' OG ' ' A' ' 44' ' ' SER . 73.1 mtm -64.15 -41.0 97.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.681 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -61.58 -47.28 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.01 0.433 . . . . 0.0 110.605 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.7 -40.68 97.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.233 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.483 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.83 -46.46 89.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.68 -42.94 98.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.35 -42.59 98.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.231 0.538 . . . . 0.0 110.604 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.69 97.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.216 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.587 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 95.0 mt -65.51 -40.37 92.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.691 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -61.03 -41.69 97.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.345 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.79 -39.5 93.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.173 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.92 -44.16 77.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.409 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.561 ' CE1' ' CG2' ' A' ' 56' ' ' THR . 60.1 t-80 -62.11 -38.72 89.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.368 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.515 ' O ' ' OG1' ' A' ' 56' ' ' THR . 40.9 mt -61.02 -43.69 98.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.348 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.02 -43.36 92.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 110.0 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -60.6 -43.93 96.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.264 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.561 ' CG2' ' CE1' ' A' ' 52' ' ' HIS . 32.8 p -57.23 -41.53 79.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.002 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.01 -38.63 91.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.909 0.385 . . . . 0.0 110.574 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.63 -28.9 69.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.631 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.581 ' CD1' HE21 ' A' ' 78' ' ' GLN . 76.8 mt -89.91 -33.77 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.862 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 61' ' ' GLY . 80.5 mm-40 -82.52 -6.04 59.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.534 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 60' ' ' GLU . . . -46.65 179.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.511 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 50.8 p-10 -85.61 97.14 9.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.573 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.2 142.32 50.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.525 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.402 ' H ' ' HD3' ' A' ' 67' ' ' LYS . . . -67.39 168.56 38.3 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.78 119.44 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.736 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.3 4.98 87.39 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' HD3' ' H ' ' A' ' 64' ' ' GLY . 50.3 tttp -81.62 137.37 35.48 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.678 0.275 . . . . 0.0 110.446 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.486 ' N ' ' SD ' ' A' ' 68' ' ' MET . 4.2 mpp? -77.46 152.16 34.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.666 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -78.55 -8.47 58.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.84 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -113.51 132.17 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.706 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.439 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 85.0 p -136.43 172.09 13.52 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.61 -45.91 84.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.617 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.29 -47.66 88.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.888 0.375 . . . . 0.0 110.619 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 71' ' ' SER . 94.1 mt -63.49 -41.67 98.56 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -178.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.3 -47.93 88.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.221 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -58.95 -45.27 90.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.17 94.27 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.78 0.324 . . . . 0.0 110.673 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.581 HE21 ' CD1' ' A' ' 59' ' ' ILE . 85.3 mt-30 -63.39 -41.3 98.76 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.153 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.7 tp -57.31 -46.73 82.91 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.365 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -67.31 -46.71 72.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.743 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.42 -45.91 92.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.836 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.3 mmm -62.19 -43.87 97.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.141 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.5 p -64.08 -47.36 80.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -62.16 -48.8 78.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.476 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.95 -47.47 82.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.529 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.03 -45.93 91.4 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.125 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.7 80.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.849 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.587 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 7.7 tmm_? -57.86 -45.54 86.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.147 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' B' ' 23' ' ' TYR . 83.8 tt0 -61.8 -43.5 98.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.142 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.84 -42.51 97.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 109.823 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.8 mt -59.74 -41.7 86.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.274 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.9 m -58.32 -45.17 88.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.41 -43.86 97.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.583 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 91.5 mt -58.93 -43.16 91.11 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.415 HG23 HD13 ' A' ' 95' ' ' ILE . 92.0 mt -61.64 -42.42 94.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.495 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.39 -40.59 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.1 0.476 . . . . 0.0 109.741 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.52 -41.66 97.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.904 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 65.9 m80 -59.92 -38.84 83.52 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 102' ' ' LYS . 10.2 tm-20 -63.19 -39.4 94.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.236 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' HZ3' ' CD2' ' B' ' 98' ' ' HIS . 97.9 mttt -65.22 -39.47 92.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.178 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.8 mt -63.32 -41.92 98.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' A' ' 99' ' ' GLU . 68.9 mttm -92.67 142.04 27.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.469 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.595 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.82 -37.08 73.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.605 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' B' ' 6' ' ' GLU . 83.6 tt0 -62.57 -69.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.412 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' B' ' 3' ' ' GLU . 97.2 mt -38.13 -38.33 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.504 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -47.34 78.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 110.31 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.0 mt-10 -67.0 -36.56 82.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.193 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.61 -42.72 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.26 -45.01 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.829 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.8 mtp -59.15 -41.83 89.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.22 -42.15 96.47 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.12 -42.68 99.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.768 0.318 . . . . 0.0 110.339 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.4 -44.4 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.599 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.72 -44.34 99.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.863 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' B' ' 14' ' ' ASN . 52.3 t-20 -61.35 -46.06 91.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.806 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -60.33 -44.61 95.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.056 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.39 -41.85 99.28 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -64.29 -44.75 90.69 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.93 -49.53 76.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.915 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.39 -45.84 92.1 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 70.1 m -55.24 -43.72 74.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.13 -41.5 98.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.796 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.66 -48.69 78.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 24.0 m-85 -60.25 -40.48 90.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.717 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.29 94.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.711 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.36 84.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.68 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.7 -44.82 96.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.338 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -55.68 -42.29 74.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.25 -42.08 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.843 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.11 96.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.705 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.51 -28.89 69.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.079 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.0 -4.23 51.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.376 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.01 12.84 76.01 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.65 80.29 3.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.842 0.354 . . . . 0.0 110.294 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -65.19 -34.39 78.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.81 78.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 110.812 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.45 80.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.449 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.83 77.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.564 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -60.72 -42.88 98.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.8 99.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.7 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.75 -42.34 91.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.53 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.466 ' O ' ' OG ' ' B' ' 44' ' ' SER . 73.4 mtm -64.43 -41.06 96.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.62 -47.38 85.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.462 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -62.51 -40.86 98.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.315 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' B' ' 41' ' ' MET . 77.7 p -61.77 -46.62 88.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.488 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.48 -42.77 96.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.309 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.52 -42.71 99.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.285 0.565 . . . . 0.0 110.608 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.44 97.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.161 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.578 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 95.2 mt -65.93 -40.47 91.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.7 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -60.81 -41.53 95.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.329 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.13 -39.69 93.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.106 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.59 -44.23 78.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.454 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . 0.569 ' CE1' ' CG2' ' B' ' 56' ' ' THR . 60.2 t-80 -62.29 -38.65 90.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.281 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.506 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.9 mt -61.02 -43.73 98.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.372 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.07 -43.28 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 0.0 110.035 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.71 -44.03 97.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.243 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.569 ' CG2' ' CE1' ' B' ' 52' ' ' HIS . 32.3 p -57.1 -41.46 78.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.969 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.08 -38.6 91.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.922 0.391 . . . . 0.0 110.587 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -65.71 -28.73 69.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.689 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.579 ' CD1' HE21 ' B' ' 78' ' ' GLN . 76.2 mt -89.83 -33.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' B' ' 61' ' ' GLY . 80.8 mm-40 -82.71 -5.85 59.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.576 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' B' ' 60' ' ' GLU . . . -46.19 179.27 0.01 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.509 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 50.8 p-10 -85.27 96.66 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.574 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.9 142.63 51.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.384 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.401 ' H ' ' HD3' ' B' ' 67' ' ' LYS . . . -67.81 168.9 39.28 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.05 119.31 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.602 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.7 4.82 88.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.401 ' HD3' ' H ' ' B' ' 64' ' ' GLY . 51.2 tttp -81.55 138.18 35.45 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.692 0.282 . . . . 0.0 110.472 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' MET . . . . . 0.488 ' N ' ' SD ' ' B' ' 68' ' ' MET . 4.2 mpp? -78.38 152.76 32.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.616 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -78.92 -8.01 58.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.7 p -114.89 131.67 66.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.801 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.446 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 97.7 p -136.38 172.82 12.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.547 -178.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.81 -46.04 88.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.566 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.59 -46.58 94.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.643 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.446 ' H ' ' HG ' ' B' ' 71' ' ' SER . 94.6 mt -64.35 -41.0 96.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.996 -178.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.5 -47.7 89.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.312 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.28 -45.59 90.84 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.275 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.19 95.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.87 0.366 . . . . 0.0 110.424 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.579 HE21 ' CD1' ' B' ' 59' ' ' ILE . 85.3 mt-30 -63.52 -41.37 98.5 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.286 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 53.9 tp -57.16 -46.54 82.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.397 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -67.57 -46.65 72.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.761 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.65 -45.32 94.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.9 mmm -62.75 -43.32 99.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.262 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 19.9 p -64.61 -47.41 78.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.129 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.2 -48.23 80.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.597 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.19 -47.86 82.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.522 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.79 -45.81 92.24 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.2 82.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.932 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.578 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 7.8 tmm_? -58.53 -45.17 89.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.278 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.475 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 83.7 tt0 -62.01 -43.67 98.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.146 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.8 -42.24 97.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 110.056 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 75.8 mt -59.85 -41.93 87.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.167 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.4 m -57.9 -45.49 86.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.087 0.47 . . . . 0.0 109.846 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.31 -43.98 97.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.466 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.543 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 90.9 mt -58.71 -42.95 89.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.6 mt -61.87 -42.66 95.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.515 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.11 -40.53 94.1 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.58 -41.83 97.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.832 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.2 m80 -59.74 -38.63 82.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.748 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' B' ' 102' ' ' LYS . 10.4 tm-20 -63.45 -39.58 94.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.14 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.18 -39.1 92.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.183 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.7 mt -63.47 -42.18 98.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.397 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' B' ' 99' ' ' GLU . 68.9 mttm -92.65 142.39 27.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.62 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.81 -36.87 72.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.633 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' C' ' 6' ' ' GLU . 84.1 tt0 -62.71 -69.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.366 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' C' ' 3' ' ' GLU . 96.9 mt -38.05 -38.53 0.33 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.428 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.84 -47.41 78.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.379 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' C' ' 3' ' ' GLU . 96.9 mt-10 -66.75 -36.5 82.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.383 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.8 -42.63 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.24 -44.9 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.029 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.3 -41.95 90.19 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.35 96.78 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.84 -42.8 99.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.381 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.12 -44.17 99.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.619 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.12 -44.23 99.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.99 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' C' ' 14' ' ' ASN . 52.0 t-20 -61.19 -46.52 90.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.852 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.6 t -60.02 -44.7 94.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.189 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.83 99.44 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.42 -45.16 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.4 -49.99 74.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.14 -45.82 91.73 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -55.28 -43.91 75.18 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.85 -41.34 97.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.7 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.97 78.22 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.475 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.1 m-85 -60.12 -41.03 91.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.531 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.48 91.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.745 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 -42.31 83.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.641 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.72 -44.44 96.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.439 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.07 -42.28 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.53 -41.35 98.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.897 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.41 -43.78 96.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.823 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.17 -29.09 69.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.034 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -79.37 -4.8 52.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.468 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.62 12.18 75.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.03 80.46 3.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.75 0.31 . . . . 0.0 110.332 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -65.22 -34.57 78.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.558 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.24 80.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.724 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.35 -35.15 79.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.375 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.06 -48.56 78.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.493 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -60.74 -43.24 98.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.624 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.09 99.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.755 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.36 -42.66 92.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.549 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.476 ' O ' ' OG ' ' C' ' 44' ' ' SER . 73.6 mtm -64.17 -41.24 97.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.571 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.51 -47.63 84.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.428 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.29 -40.71 97.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.35 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.7 p -61.95 -46.38 89.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.502 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.92 -42.54 98.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.313 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.5 -42.97 99.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.353 0.597 . . . . 0.0 110.542 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.83 98.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.354 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.582 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 94.1 mt -65.74 -40.43 92.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -61.06 -41.5 96.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.368 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -64.65 -40.16 94.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.015 0.436 . . . . 0.0 110.05 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -44.48 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.369 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.569 ' CE1' ' CG2' ' C' ' 56' ' ' THR . 60.1 t-80 -61.77 -38.71 89.06 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.274 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . 0.502 ' O ' ' OG1' ' C' ' 56' ' ' THR . 40.7 mt -61.3 -43.57 98.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.271 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.93 -43.36 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.045 0.45 . . . . 0.0 109.972 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.81 -43.95 97.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.245 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' THR . . . . . 0.569 ' CG2' ' CE1' ' C' ' 52' ' ' HIS . 33.9 p -57.13 -41.35 78.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.134 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.26 -38.66 92.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.936 0.398 . . . . 0.0 110.48 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -65.34 -28.98 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.578 ' CD1' HE21 ' C' ' 78' ' ' GLN . 77.0 mt -89.85 -34.0 6.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.835 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.554 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.9 mm-40 -82.46 -5.91 58.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.498 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' C' ' 60' ' ' GLU . . . -46.24 -179.87 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 50.5 p-10 -86.06 96.34 9.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.905 0.383 . . . . 0.0 110.583 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.69 142.95 51.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . 0.404 ' H ' ' HD3' ' C' ' 67' ' ' LYS . . . -68.1 168.83 40.49 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.73 119.38 9.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.688 0.28 . . . . 0.0 110.652 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.41 4.83 87.48 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.404 ' HD3' ' H ' ' C' ' 64' ' ' GLY . 51.5 tttp -81.41 137.83 35.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.548 0.213 . . . . 0.0 110.618 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 68' ' ' MET . . . . . 0.491 ' N ' ' SD ' ' C' ' 68' ' ' MET . 4.2 mpp? -78.12 153.08 32.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.581 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -79.26 -7.78 58.53 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 11.5 p -114.64 131.22 67.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.682 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.419 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 93.0 p -135.28 174.99 10.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.554 -178.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.66 -45.02 95.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.637 -177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.73 -46.87 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 130.06 3.344 . . . . 0.0 110.657 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.419 ' H ' ' HG ' ' C' ' 71' ' ' SER . 95.6 mt -66.48 -40.93 89.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.78 -48.22 88.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.232 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.28 -45.11 92.13 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.292 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.08 94.46 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.864 0.364 . . . . 0.0 110.383 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . 0.578 HE21 ' CD1' ' C' ' 59' ' ' ILE . 85.1 mt-30 -63.82 -41.2 97.92 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.236 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 tp -57.19 -46.64 82.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.492 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -67.59 -46.78 71.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.704 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -61.44 -45.74 93.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.803 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.3 -43.59 98.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.345 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.7 p -64.41 -47.65 78.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.171 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -61.84 -48.43 80.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.609 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -58.1 -47.95 81.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.516 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.58 -46.04 91.59 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.178 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.54 81.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.901 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.582 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 7.8 tmm_? -58.24 -45.16 88.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.227 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.93 -43.75 98.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.158 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.84 -42.26 97.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.12 0.486 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 76.4 mt -59.72 -41.93 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.407 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 89.3 m -57.88 -45.32 86.54 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.973 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.48 -44.09 97.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.459 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.516 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 91.0 mt -58.43 -43.22 88.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.428 HD13 HG23 ' C' ' 95' ' ' ILE . 92.2 mt -61.58 -42.8 95.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.615 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -60.99 -40.52 93.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.724 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.89 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 66.3 m80 -60.07 -38.42 82.81 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' C' ' 102' ' ' LYS . 10.3 tm-20 -63.53 -39.72 95.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.156 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.99 -39.13 93.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.199 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.4 -42.35 98.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.315 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' C' ' 99' ' ' GLU . 68.8 mttm -92.56 142.12 27.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.462 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.531 -179.849 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.516 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.929 0.871 . . . . 0.0 108.935 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.465 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.76 143.05 36.76 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.34 38.61 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.064 -1.022 . . . . 0.0 109.502 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.12 28.41 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.24 19.0 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.412 178.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.75 144.39 19.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.61 37.0 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.115 0.96 . . . . 0.0 110.145 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.96 114.29 24.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.9 -4.26 19.35 Favored 'General case' 0 C--N 1.265 -3.07 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.901 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.8 85.83 Favored Pre-proline 0 N--CA 1.499 2.012 0 O-C-N 119.672 -1.892 . . . . 0.0 110.608 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.52 -47.63 13.0 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 124.728 3.619 . . . . 0.0 114.152 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.606 ' CB ' ' NE2' ' C' ' 52' ' ' HIS . 1.5 p30 -102.22 27.72 6.46 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 116.014 -2.274 . . . . 0.0 108.743 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 57.14 -148.13 33.41 Favored Glycine 0 N--CA 1.496 2.675 0 C-N-CA 117.659 -2.21 . . . . 0.0 109.631 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -83.53 82.71 8.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.846 -1.385 . . . . 0.0 109.529 -177.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.549 ' HD1' ' HG1' ' D' ' 316' ' ' THR . 3.1 p80 -78.92 179.03 7.53 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 117.857 -1.537 . . . . 0.0 112.129 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.549 ' HG1' ' HD1' ' D' ' 315' ' ' HIS . 7.6 p -36.92 -68.77 0.13 Allowed 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 -176.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.474 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.9 tmm_? -58.43 -51.59 80.73 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 120.148 -0.621 . . . . 0.0 112.499 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.438 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.9 Cg_endo -64.72 -32.19 57.44 Favored 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 120.939 1.093 . . . . 0.0 111.468 -177.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.86 86.86 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.231 -0.918 . . . . 0.0 109.482 -179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.65 72.42 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -64.02 -39.42 94.05 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 117.953 -1.499 . . . . 0.0 109.427 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.548 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.61 -45.32 93.39 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.677 1.227 . . . . 0.0 108.738 -177.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.68 -42.27 95.43 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.215 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.649 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . 0.44 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 97.2 mttt -63.83 -40.28 96.22 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.209 -0.932 . . . . 0.0 109.794 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.465 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.8 -39.66 80.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.477 -0.764 . . . . 0.0 109.559 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.09 -44.01 91.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.599 -1.313 . . . . 0.0 109.44 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.32 -16.18 43.25 Favored 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.61 86.1 Favored Glycine 0 N--CA 1.48 1.593 0 O-C-N 119.988 -1.695 . . . . 0.0 109.278 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.403 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.49 143.36 32.82 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.277 -1.72 . . . . 0.0 110.072 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.6 -30.18 59.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.223 -0.923 . . . . 0.0 112.231 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.72 158.51 10.14 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.873 -1.767 . . . . 0.0 112.88 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.18 35.32 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 171.315 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.66 136.54 60.51 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 CA-C-O 122.205 1.002 . . . . 0.0 109.335 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.404 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.7 m -124.86 143.14 50.99 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-O 123.114 1.435 . . . . 0.0 109.997 178.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.404 ' N ' HG23 ' D' ' 334' ' ' THR . 86.0 t -108.04 129.92 61.41 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 173.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.0 m -127.49 119.58 26.39 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.963 -1.086 . . . . 0.0 108.887 -178.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.58 39.22 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.582 -0.699 . . . . 0.0 109.953 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.78 39.01 24.63 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.913 -1.117 . . . . 0.0 112.73 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.61 10.94 83.7 Favored Glycine 0 N--CA 1.5 2.957 0 O-C-N 119.934 -1.729 . . . . 0.0 112.607 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.82 136.22 54.56 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 67.9 m -124.7 158.53 32.98 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.825 1.774 . . . . 0.0 112.429 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.69 151.37 31.35 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-N 112.498 -2.137 . . . . 0.0 108.57 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.663 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.55 135.9 48.88 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.95 -6.82 47.82 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.693 -1.254 . . . . 0.0 110.727 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.663 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.46 12.99 31.39 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.587 -1.321 . . . . 0.0 109.399 -177.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 95.4 p -133.11 104.15 6.37 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.226 1.012 . . . . 0.0 110.123 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.19 -37.88 72.83 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.997 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -58.86 -51.45 69.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.561 -1.337 . . . . 0.0 113.036 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.06 -32.38 70.45 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.544 -1.972 . . . . 0.0 109.176 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.8 -33.83 76.01 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.926 -177.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.569 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 59.4 tt0 -67.53 -10.54 52.73 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.674 -0.641 . . . . 0.0 109.956 -177.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.7 p -89.75 -7.69 53.92 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 118.151 -1.42 . . . . 0.0 110.911 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . 0.474 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.7 mt -93.38 159.26 15.33 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 110.188 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.61 104.86 2.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 106.933 -2.467 . . . . 0.0 106.933 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 78.9 mt -119.59 47.36 1.73 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 120.705 -1.468 . . . . 0.0 107.436 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 2.9 p -81.5 172.51 13.41 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.211 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -60.68 140.95 57.29 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.901 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.28 79.08 Favored Glycine 0 N--CA 1.501 2.968 0 C-N-CA 119.976 -1.107 . . . . 0.0 111.414 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.41 135.94 34.06 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.818 -1.401 . . . . 0.0 110.592 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.2 t -96.55 123.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.3 m -112.16 160.06 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 117.398 -1.721 . . . . 0.0 110.634 178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.6 m -108.89 128.36 54.85 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 120.526 -1.359 . . . . 0.0 107.601 175.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.84 121.43 60.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.29 50.69 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.78 153.39 47.13 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.72 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.69 6.37 Favored 'General case' 0 C--N 1.287 -2.118 0 C-N-CA 118.563 -1.255 . . . . 0.0 108.088 178.14 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.3 -170.29 40.18 Favored Glycine 0 C--N 1.296 -1.68 0 C-N-CA 118.002 -2.047 . . . . 0.0 110.353 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.59 82.53 Favored 'General case' 0 C--N 1.276 -2.598 0 CA-C-N 114.42 -0.89 . . . . 0.0 112.234 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.04 36.78 3.55 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 115.862 -2.335 . . . . 0.0 108.62 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.45 -33.45 65.91 Favored 'General case' 0 N--CA 1.521 3.082 0 N-CA-C 116.906 2.188 . . . . 0.0 116.906 -174.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.483 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.67 27.56 Favored 'General case' 0 N--CA 1.509 2.484 0 O-C-N 119.569 -1.957 . . . . 0.0 110.946 -176.61 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.774 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.56 -40.66 97.56 Favored 'General case' 0 C--N 1.283 -2.293 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.52 77.53 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.464 -1.695 . . . . 0.0 110.039 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.77 -42.25 89.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 122.203 1.001 . . . . 0.0 109.298 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.93 -47.9 76.7 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.972 0.892 . . . . 0.0 108.75 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.774 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.8 m-70 -69.71 -38.32 76.89 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.8 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.548 HD22 ' CE1' ' D' ' 322' ' ' PHE . 81.1 mt -75.61 -28.64 58.95 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.367 -1.458 . . . . 0.0 110.897 -174.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.5 70.97 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.447 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.16 63.5 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.465 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.25 84.26 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 118.996 -1.082 . . . . 0.0 110.465 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.33 -37.42 85.54 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.919 -1.113 . . . . 0.0 111.538 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.67 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.068 -1.02 . . . . 0.0 110.274 -178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.81 -32.29 46.21 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.439 -0.788 . . . . 0.0 111.401 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 125.42 12.2 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 124.277 1.989 . . . . 0.0 112.914 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.901 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 33.6 tp10 . . . . . 0 C--N 1.277 -2.571 0 CA-C-N 111.192 -2.731 . . . . 0.0 110.173 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 59.0 mp0 -61.35 -36.93 81.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.517 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 6' ' ' GLU . 79.5 mm-40 -60.26 -79.14 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 3' ' ' GLU . 95.8 mt -37.85 -36.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.409 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -64.68 -47.51 78.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.881 0.372 . . . . 0.0 110.226 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 3' ' ' GLU . 80.4 tt0 -67.21 -36.65 82.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.314 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.91 -42.41 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.354 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.4 -45.19 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.959 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.05 -42.02 89.27 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.65 -41.91 97.54 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.88 -43.16 99.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.252 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.32 -43.96 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.792 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.44 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 87.1 mt -63.73 -44.39 98.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.409 ' C ' ' OD1' ' A' ' 14' ' ' ASN . 50.5 t-20 -60.95 -45.94 92.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.856 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 t -60.78 -43.59 97.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.01 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.85 97.64 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.06 -44.21 96.45 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.35 -49.12 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.863 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.37 -45.44 93.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.57 -45.22 81.43 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.66 -41.7 97.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.71 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.66 -48.0 80.73 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -60.47 -41.16 93.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.551 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.11 -42.22 94.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.758 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.6 85.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.702 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.6 -44.97 96.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.447 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.4 -41.52 72.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.99 -41.1 95.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.816 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.48 94.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.743 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.15 -30.24 70.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.137 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -79.43 -4.61 51.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.474 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.86 13.09 75.9 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.95 80.8 3.02 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.776 0.322 . . . . 0.0 110.255 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -64.95 -34.55 78.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.646 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.88 77.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.978 0.418 . . . . 0.0 110.761 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.37 80.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.374 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.69 77.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.594 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -62.02 -42.36 99.08 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.623 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.95 99.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.775 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -65.43 -41.1 93.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.535 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.559 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 3.2 mmt -62.54 -41.09 98.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.653 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -62.11 -44.18 97.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.95 0.405 . . . . 0.0 110.469 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.17 -41.28 99.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.236 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.486 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.2 p -61.58 -45.58 93.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.63 -42.5 97.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.363 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.7 mtp -61.77 -41.95 98.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.51 . . . . 0.0 110.529 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.13 99.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.21 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.99 -39.88 90.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -60.82 -41.58 96.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.197 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.39 -39.91 92.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.016 0.436 . . . . 0.0 110.191 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.27 -43.33 82.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.501 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -63.09 -38.28 90.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.373 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.15 -43.36 99.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.328 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.87 -43.44 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.0 110.04 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.43 -42.1 95.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.215 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.2 m -57.0 -43.48 81.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.972 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -60.32 -40.17 89.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 110.527 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.83 -39.08 80.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.737 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.84 -39.52 82.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -84.65 -12.84 53.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.488 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.88 -16.54 44.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -75.11 122.1 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 110.548 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.63 141.61 58.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.545 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.509 ' O ' ' O ' ' A' ' 67' ' ' LYS . . . -87.47 -3.35 81.5 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.54 ' C ' ' H ' ' A' ' 67' ' ' LYS . 81.1 tt0 -68.72 135.3 51.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 0.0 110.673 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.37 -38.03 0.45 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.54 ' H ' ' C ' ' A' ' 65' ' ' GLU . 99.4 mttt -98.84 143.84 28.72 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.71 0.29 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.19 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.615 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.696 ' HZ2' ' CD1' ' B' ' 12' ' ' ILE . 88.5 tttt -93.41 -99.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 m -88.4 -148.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.723 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 64.9 p -135.0 170.68 15.54 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.1 tp -57.13 -45.25 83.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.78 -45.53 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.898 0.38 . . . . 0.0 110.552 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.2 mt -61.5 -39.99 92.95 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.66 -47.1 92.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.228 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -59.05 -45.81 89.84 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.269 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.64 99.62 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.655 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.499 ' OE1' ' OE2' ' B' ' 76' ' ' GLU . 85.7 mt-30 -62.56 -39.4 93.53 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.18 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.8 tp -57.87 -47.75 81.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.41 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -67.4 -48.26 67.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.671 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.35 -45.04 96.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.841 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.02 -43.25 99.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.213 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.2 p -63.94 -46.52 84.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.121 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.524 ' HG ' ' N ' ' A' ' 85' ' ' MET . 77.9 p -62.72 -49.88 73.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.441 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.524 ' N ' ' HG ' ' A' ' 84' ' ' SER . 66.2 ttp -57.72 -47.92 81.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.509 -178.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.65 -45.14 95.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.057 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -47.34 85.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.804 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -57.98 -45.88 86.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.133 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.34 -43.43 98.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.074 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.17 -42.94 96.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.0 109.774 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.31 -41.8 88.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.371 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.559 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 89.1 m -57.15 -45.56 83.47 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.54 -42.95 98.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.564 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.7 -43.27 94.17 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.27 -42.89 95.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.538 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.76 -39.37 88.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 109.709 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.16 -41.7 98.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.861 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -58.14 -40.81 82.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -60.34 -39.08 85.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.17 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.06 -36.19 83.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.183 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 103' ' ' ALA . 86.0 mt -82.39 -8.34 59.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 101' ' ' LEU . 99.1 mttt 38.12 -89.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.529 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.53 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -61.42 -36.75 81.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.2 mm-40 -60.41 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.511 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' B' ' 3' ' ' GLU . 95.3 mt -38.26 -35.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.526 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -65.11 -47.07 78.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.391 . . . . 0.0 110.355 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.2 tt0 -67.33 -36.74 82.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.212 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 73.0 t -63.87 -42.64 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.346 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 72.6 t -60.2 -44.98 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.883 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -59.36 -42.0 90.57 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.19 97.58 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.3 mt -62.65 -43.12 99.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.788 0.328 . . . . 0.0 110.361 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.696 ' CD1' ' HZ2' ' A' ' 69' ' ' LYS . 95.2 mt -63.67 -43.82 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.6 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.74 -44.64 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.878 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' B' ' 14' ' ' ASN . 50.3 t-20 -60.79 -46.25 91.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.79 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.8 t -60.31 -43.82 96.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.108 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.95 -43.01 98.08 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.04 -44.42 95.93 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.98 -49.12 77.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.907 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -60.44 -45.54 93.27 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.51 -45.21 81.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.44 -42.18 98.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.618 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.42 -48.28 79.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.94 -41.41 91.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.737 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.79 93.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.699 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.52 84.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.643 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.71 -44.8 96.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.399 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.5 -41.74 73.49 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.83 -40.81 94.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.941 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.32 95.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.695 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.44 -29.89 70.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.115 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -79.93 -4.48 52.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.352 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.1 12.41 76.64 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.28 80.99 3.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.856 0.36 . . . . 0.0 110.314 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -65.23 -34.22 77.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.584 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.11 76.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.072 0.463 . . . . 0.0 110.818 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.37 80.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.399 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -48.87 77.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.56 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.91 -42.33 98.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.57 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.65 99.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.652 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.62 -40.95 93.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.551 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.569 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 3.2 mmt -62.67 -41.27 98.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.583 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.03 -44.28 97.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.457 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.99 -41.6 99.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.325 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.1 p -61.02 -45.98 92.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.5 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.61 -42.65 97.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.277 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.5 mtp -61.27 -42.13 98.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.359 0.599 . . . . 0.0 110.717 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.54 99.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.176 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.53 -40.08 92.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.749 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.57 -41.65 95.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.347 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.53 -39.72 92.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.218 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.37 -43.74 80.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.438 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.77 -38.27 89.93 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.283 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.15 -43.22 99.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.43 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.12 -43.32 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.001 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -60.49 -42.15 95.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.231 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 89.2 m -56.79 -43.69 81.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.968 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -60.29 -40.05 89.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.91 0.386 . . . . 0.0 110.547 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.9 mt -68.95 -39.2 79.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.659 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.408 HD12 HG21 ' B' ' 59' ' ' ILE . 97.3 mt -67.74 -39.93 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.739 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -84.28 -12.22 55.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.39 -16.76 42.04 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -75.14 122.03 22.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.476 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.56 142.01 58.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.428 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' B' ' 67' ' ' LYS . . . -87.88 -3.27 80.26 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.547 ' C ' ' H ' ' B' ' 67' ' ' LYS . 81.0 tt0 -68.84 135.6 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.637 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.15 -37.83 0.42 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.547 ' H ' ' C ' ' B' ' 65' ' ' GLU . 99.5 mttt -99.05 144.45 28.18 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.644 0.259 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.2 mmm -65.0 -91.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.648 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.671 ' HZ2' ' CD1' ' C' ' 12' ' ' ILE . 88.4 tttt -93.7 -99.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.859 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 m -86.53 -149.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.846 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.7 p -134.64 171.62 14.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.601 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.25 -44.69 92.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.586 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.39 -44.88 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.646 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 32.5 mt -61.66 -39.6 91.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.5 -47.57 90.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.311 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.499 ' OE2' ' OE1' ' A' ' 78' ' ' GLN . 51.0 tp10 -58.84 -45.84 89.1 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.326 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.26 99.4 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.921 0.391 . . . . 0.0 110.441 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.507 ' OE1' ' OE2' ' C' ' 76' ' ' GLU . 85.6 mt-30 -62.84 -39.07 93.22 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.25 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 44.3 tp -58.24 -47.54 83.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.407 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.71 -47.99 67.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.761 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.43 -45.14 95.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.04 -43.52 98.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.181 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.9 p -63.49 -46.94 83.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.172 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.495 ' HG ' ' N ' ' B' ' 85' ' ' MET . 76.8 p -62.3 -49.85 73.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.641 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.495 ' N ' ' HG ' ' B' ' 84' ' ' SER . 66.0 ttp -57.59 -48.11 80.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.416 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.48 -45.18 95.35 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.168 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.26 86.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.831 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.12 -45.43 87.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.247 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.94 -43.19 99.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.182 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.31 -42.56 96.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.065 0.459 . . . . 0.0 110.035 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.6 -41.61 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.237 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.569 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 90.0 m -57.38 -45.0 84.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.092 0.472 . . . . 0.0 109.929 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.2 -42.52 96.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.499 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.11 -43.0 95.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.49 -42.78 95.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.517 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.93 -39.44 89.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.09 -41.62 98.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.766 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -58.18 -40.43 81.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.795 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -60.98 -38.55 86.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.15 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.45 -36.29 83.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.247 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' B' ' 103' ' ' ALA . 85.7 mt -82.19 -8.5 59.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.353 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 101' ' ' LEU . 98.9 mttt 38.17 -89.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.611 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . 0.595 ' N ' ' O ' ' B' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.543 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' C' ' 2' ' ' GLU . 59.2 mp0 -61.05 -37.12 81.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.6 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.2 mm-40 -60.14 -79.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.443 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' C' ' 3' ' ' GLU . 96.3 mt -37.96 -36.07 0.18 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.427 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -64.83 -47.46 77.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 0.0 110.371 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' C' ' 3' ' ' GLU . 80.8 tt0 -66.79 -36.98 83.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.286 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.84 -42.29 95.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.407 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 75.0 t -60.42 -45.01 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.97 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mtp -59.25 -42.3 90.8 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.93 97.94 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 32.8 mt -62.79 -43.12 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 110.34 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.671 ' CD1' ' HZ2' ' B' ' 69' ' ' LYS . 96.9 mt -63.54 -43.8 98.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.754 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.64 -44.46 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.037 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' C' ' 14' ' ' ASN . 49.7 t-20 -61.1 -45.93 92.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.752 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -60.72 -43.58 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.147 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.16 -43.0 97.77 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -62.88 -44.24 96.63 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.46 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.75 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.58 -45.06 95.35 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -57.0 -44.85 83.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.89 -41.57 98.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.741 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.71 -47.96 80.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -60.53 -41.37 94.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.506 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.19 93.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.47 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.568 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.68 -44.98 95.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.478 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.12 -42.13 72.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.67 -40.89 93.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.896 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.95 94.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.796 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.73 -29.8 70.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.102 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -79.75 -4.54 52.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.378 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.97 12.81 76.15 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -96.69 80.64 3.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.796 0.331 . . . . 0.0 110.273 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -65.01 -34.52 78.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.489 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.81 77.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.026 0.441 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.8 -35.26 80.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.404 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.81 77.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.436 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -61.76 -42.67 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.583 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.741 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.16 -41.15 94.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.527 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.566 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 3.3 mmt -62.46 -41.23 98.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.607 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.06 -44.47 96.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.437 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.86 -41.15 99.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.323 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.3 p -61.89 -45.24 94.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.537 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.09 -42.4 98.44 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.313 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.58 -42.51 98.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.404 0.621 . . . . 0.0 110.523 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.59 99.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.369 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.86 -39.98 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.769 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.79 -41.41 95.54 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.411 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.41 -40.16 93.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.08 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.93 81.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.395 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.606 ' NE2' ' CB ' ' D' ' 312' ' ' ASN . 84.6 t60 -62.53 -38.3 89.45 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.377 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.41 -43.22 99.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.266 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.02 -43.2 96.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.003 0.43 . . . . 0.0 109.97 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.51 -42.24 95.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.273 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 91.4 m -56.9 -43.43 81.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.126 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -60.42 -39.89 89.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.511 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 95.3 mt -68.84 -39.31 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.801 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.406 HD12 HG21 ' C' ' 59' ' ' ILE . 97.3 mt -67.7 -39.96 83.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.837 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.569 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 67.3 mm-40 -84.14 -12.24 55.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.475 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.6 -16.35 42.99 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -75.31 122.15 23.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.342 . . . . 0.0 110.484 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.66 141.6 58.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.485 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . 0.507 ' O ' ' O ' ' C' ' 67' ' ' LYS . . . -87.3 -3.24 82.15 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . 0.539 ' C ' ' H ' ' C' ' 67' ' ' LYS . 81.0 tt0 -68.96 135.37 50.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.728 0.299 . . . . 0.0 110.578 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.11 -37.38 0.42 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.539 ' H ' ' C ' ' C' ' 65' ' ' GLU . 99.5 mttt -99.28 144.16 28.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.618 0.247 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mmm -64.87 -91.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.587 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.435 ' HZ3' ' CG2' ' D' ' 316' ' ' THR . 88.1 tttt -93.79 -99.8 0.14 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.4 ' H ' ' HB3' ' C' ' 69' ' ' LYS . 24.5 m -86.64 -150.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.771 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 37.6 p -133.6 173.79 11.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.535 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.34 -45.33 91.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.721 -177.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.35 -45.22 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 130.075 3.35 . . . . 0.0 110.621 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 38.2 mt -63.44 -39.44 94.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.086 0.469 . . . . 0.0 110.971 177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.82 -48.2 88.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.244 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.507 ' OE2' ' OE1' ' B' ' 78' ' ' GLN . 50.4 tp10 -58.84 -45.83 89.12 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.34 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.48 99.51 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.83 0.348 . . . . 0.0 110.434 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.77 -39.09 93.09 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.291 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 44.8 tp -58.25 -47.52 83.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.472 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -67.81 -48.21 66.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 mt -60.99 -45.28 95.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.804 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.91 -43.15 99.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.392 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.9 p -64.28 -46.34 84.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.186 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.512 ' HG ' ' N ' ' C' ' 85' ' ' MET . 78.2 p -62.84 -49.45 74.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.614 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.512 ' N ' ' HG ' ' C' ' 84' ' ' SER . 66.2 ttp -57.87 -48.09 80.82 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.496 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.5 -45.35 94.61 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.109 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.29 85.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.979 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.28 -45.4 87.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.234 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.52 -43.6 98.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.155 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.99 -42.78 97.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.175 0.512 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . 0.425 HD12 HG22 ' C' ' 91' ' ' ILE . 78.6 mt -60.43 -41.58 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.422 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.566 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 90.6 m -57.36 -44.98 84.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 109.926 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.36 -42.38 96.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.476 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.26 -42.93 96.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.44 -43.0 96.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.528 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.52 -39.7 88.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.706 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.98 -41.5 98.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.89 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -58.08 -40.6 81.47 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.92 -38.73 86.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.07 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.29 -36.22 83.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.207 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' C' ' 103' ' ' ALA . 85.7 mt -82.41 -8.66 59.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.315 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' C' ' 101' ' ' LEU . 99.0 mttt 38.53 -89.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.494 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . 0.595 ' N ' ' O ' ' C' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.511 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.52 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.705 0 CA-C-O 121.8 0.81 . . . . 0.0 108.994 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.459 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.86 143.02 36.54 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.01 156.3 38.56 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.124 -0.985 . . . . 0.0 109.544 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.22 28.54 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.24 19.02 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.986 -1.071 . . . . 0.0 108.441 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.31 19.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.67 136.6 36.97 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.09 0.948 . . . . 0.0 110.197 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.34 24.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.93 -4.26 19.31 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.892 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.83 85.71 Favored Pre-proline 0 N--CA 1.499 2.021 0 O-C-N 119.629 -1.919 . . . . 0.0 110.602 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -45.58 -47.57 13.22 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 124.734 3.622 . . . . 0.0 114.123 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.544 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.5 m-20 -102.13 27.49 6.61 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 116.104 -2.238 . . . . 0.0 108.817 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.96 -142.29 47.47 Favored Glycine 0 N--CA 1.497 2.707 0 C-N-CA 117.692 -2.194 . . . . 0.0 109.548 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.8 tp -90.76 75.97 6.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.921 -1.34 . . . . 0.0 109.533 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.61 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.5 p80 -69.74 175.88 3.97 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.941 -1.503 . . . . 0.0 112.155 -178.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 65.1 p -39.07 -65.83 0.34 Allowed 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.432 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 2.0 tmm_? -57.08 -52.27 75.37 Favored Pre-proline 0 N--CA 1.493 1.71 0 C-N-CA 120.166 -0.614 . . . . 0.0 112.491 -177.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.54 -32.17 59.45 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 120.49 0.794 . . . . 0.0 111.524 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.94 -38.96 87.12 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.74 72.76 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.87 -39.41 94.14 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.955 -1.498 . . . . 0.0 109.539 177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.534 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.69 -45.33 93.28 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 122.63 1.205 . . . . 0.0 108.713 -177.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.6 -42.23 95.16 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.709 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.88 -40.32 96.26 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.271 -0.893 . . . . 0.0 109.793 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.465 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.74 -39.64 80.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.457 -0.777 . . . . 0.0 109.591 177.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.07 91.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.632 -1.292 . . . . 0.0 109.412 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.31 -16.19 43.29 Favored 'General case' 0 N--CA 1.51 2.573 0 O-C-N 121.299 -0.875 . . . . 0.0 113.361 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.62 86.05 Favored Glycine 0 N--CA 1.479 1.536 0 O-C-N 119.875 -1.765 . . . . 0.0 109.269 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.37 32.81 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.25 -1.735 . . . . 0.0 109.99 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.7 p -75.55 -30.11 59.62 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.202 -0.936 . . . . 0.0 112.359 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.82 158.63 10.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 119.838 -1.789 . . . . 0.0 112.79 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.583 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.01 130.2 35.27 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 102.813 -3.032 . . . . 0.0 102.813 171.26 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.65 136.67 60.12 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.381 0 CA-C-O 122.185 0.993 . . . . 0.0 109.299 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.405 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.9 m -125.04 143.16 51.05 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-O 123.123 1.44 . . . . 0.0 109.934 178.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.405 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.09 129.92 61.49 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.404 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.46 119.57 26.4 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.829 -1.169 . . . . 0.0 108.949 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.57 122.54 39.12 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.588 -0.695 . . . . 0.0 109.879 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.75 38.98 24.46 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.858 -1.151 . . . . 0.0 112.768 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.01 83.57 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 119.928 -1.732 . . . . 0.0 112.511 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.85 136.33 54.52 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 177.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.72 158.56 32.96 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-O 123.744 1.735 . . . . 0.0 112.504 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.38 31.33 Favored 'General case' 0 C--N 1.279 -2.497 0 CA-C-N 112.535 -2.121 . . . . 0.0 108.608 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.664 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 7.9 t -70.63 136.01 48.82 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 173.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.99 -6.77 47.64 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.702 -1.249 . . . . 0.0 110.707 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.664 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.43 12.94 31.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.615 -1.303 . . . . 0.0 109.386 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 89.6 p -133.13 104.16 6.37 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 122.176 0.988 . . . . 0.0 110.087 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.21 -37.95 72.99 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.961 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -58.81 -51.4 70.15 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.622 -1.298 . . . . 0.0 113.055 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.48 70.56 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 119.583 -1.948 . . . . 0.0 109.179 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.71 -33.77 75.78 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.004 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.553 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 8.5 tp-100 -67.66 -10.44 52.27 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.657 -0.652 . . . . 0.0 109.899 -177.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 40.9 p -89.8 -7.74 53.7 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.091 -1.444 . . . . 0.0 110.939 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . 0.503 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 93.4 mt -93.31 159.35 15.3 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.168 -0.958 . . . . 0.0 110.127 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.76 104.81 2.97 Favored Glycine 0 N--CA 1.484 1.9 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.5 mt -119.57 47.42 1.71 Allowed 'General case' 0 C--N 1.31 -1.149 0 O-C-N 120.727 -1.455 . . . . 0.0 107.437 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 7.6 p -81.46 172.55 13.38 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.209 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -60.74 140.9 57.39 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.317 -0.953 . . . . 0.0 109.859 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.18 78.86 Favored Glycine 0 N--CA 1.501 3.024 0 C-N-CA 119.971 -1.109 . . . . 0.0 111.358 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.44 135.88 34.08 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 120.909 -1.347 . . . . 0.0 110.619 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.9 t -96.56 123.7 48.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 176.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.13 160.08 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 C-N-CA 117.4 -1.72 . . . . 0.0 110.658 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.404 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.9 128.45 54.93 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 120.509 -1.37 . . . . 0.0 107.603 175.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.87 121.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 176.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.26 50.71 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.44 47.16 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.464 -1.295 . . . . 0.0 109.693 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.52 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.81 6.44 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 118.62 -1.232 . . . . 0.0 108.099 178.148 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.25 40.12 Favored Glycine 0 C--N 1.296 -1.686 0 C-N-CA 118.003 -2.046 . . . . 0.0 110.378 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.52 -40.54 83.18 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 114.416 -0.892 . . . . 0.0 112.156 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.02 36.71 3.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 118.98 -2.325 . . . . 0.0 108.615 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.48 -33.46 65.96 Favored 'General case' 0 N--CA 1.522 3.129 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -173.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.482 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.69 27.42 Favored 'General case' 0 N--CA 1.509 2.501 0 O-C-N 119.549 -1.969 . . . . 0.0 110.956 -176.614 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.776 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.72 97.84 Favored 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.49 77.64 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 117.545 -1.662 . . . . 0.0 110.03 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 68.0 t -66.79 -42.26 89.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 122.253 1.025 . . . . 0.0 109.299 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.85 -47.96 76.36 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 122.015 0.912 . . . . 0.0 108.746 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.776 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.76 -38.36 76.73 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.717 -178.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.6 mt -75.51 -28.69 59.24 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.342 -1.474 . . . . 0.0 110.909 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.425 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.29 62.73 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.465 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.23 -45.21 84.09 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 118.985 -1.086 . . . . 0.0 110.516 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.31 -37.45 85.61 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.97 -1.081 . . . . 0.0 111.482 -177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.75 61.61 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.135 -0.978 . . . . 0.0 110.279 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.9 -32.37 45.75 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.512 -0.743 . . . . 0.0 111.324 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.49 12.33 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.396 2.046 . . . . 0.0 112.916 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.892 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.7 mm-40 . . . . . 0 C--N 1.278 -2.543 0 CA-C-N 111.108 -2.769 . . . . 0.0 110.124 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -57.64 -35.55 70.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.501 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.3 mt-10 -59.38 -76.21 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.457 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 3' ' ' GLU . 98.0 mt -37.86 -38.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.386 -179.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.84 -47.01 79.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.929 0.395 . . . . 0.0 110.296 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 3' ' ' GLU . 84.1 tt0 -67.66 -36.33 80.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.284 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.6 t -64.19 -41.9 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.404 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.2 t -60.56 -44.28 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.894 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.5 mtp -58.88 -41.44 87.11 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.25 -42.34 97.91 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.2 mt -62.79 -42.89 99.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.245 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.08 -43.96 99.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.728 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.44 -44.33 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.948 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -61.39 -46.16 91.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.794 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 t -60.43 -44.22 95.99 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.79 -43.61 97.45 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.05 -44.91 94.53 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.28 -49.74 76.08 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.55 -45.9 92.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.15 -44.51 79.3 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.86 -41.46 97.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.69 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.43 -49.23 76.89 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -60.04 -40.79 90.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.634 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.57 97.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.729 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.7 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.651 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.49 -45.21 95.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.44 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.32 -41.46 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.4 -41.64 97.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.8 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.59 94.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.712 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.29 -29.52 69.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.141 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -80.7 -4.59 54.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.436 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.01 13.41 79.39 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.27 81.74 3.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.703 0.287 . . . . 0.0 110.282 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -64.95 -34.71 79.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.661 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.49 82.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.043 0.449 . . . . 0.0 110.73 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.57 81.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.348 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.87 -47.47 80.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.564 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -61.47 -43.7 98.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.623 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.6 99.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.53 -41.09 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.582 ' O ' ' NH2' ' A' ' 88' ' ' ARG . 90.9 mtp -62.08 -42.23 98.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.633 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.25 -44.39 97.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.955 0.407 . . . . 0.0 110.544 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.72 -42.48 95.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -60.3 -47.7 84.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.55 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -59.83 -42.89 94.56 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.332 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.5 mtp -61.48 -42.12 98.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.207 0.527 . . . . 0.0 110.532 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.22 97.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.214 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.15 -39.93 93.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.69 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.08 -41.41 96.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.26 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -64.63 -39.98 94.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.034 0.445 . . . . 0.0 110.217 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.03 74.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.84 -39.02 87.5 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -60.54 -43.94 96.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.292 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.61 -43.48 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.073 0.463 . . . . 0.0 110.02 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -59.84 -43.41 94.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.227 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 m -56.45 -42.88 78.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.003 0.43 . . . . 0.0 110.022 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.57 -40.5 94.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.511 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.37 -39.75 81.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.733 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.07 -40.02 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -83.32 -13.16 55.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.486 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.05 -18.19 37.84 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 68.1 t0 -97.32 -31.73 12.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.674 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.66 136.78 53.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.506 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.34 -165.09 11.36 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -88.76 113.23 24.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.363 . . . . 0.0 110.738 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.01 0.18 75.06 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.24 152.25 19.61 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.669 0.271 . . . . 0.0 110.457 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.2 mmm -69.29 137.33 52.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -93.14 -1.45 56.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.3 m -106.4 123.4 61.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.698 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.426 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 86.0 p -131.13 165.25 23.71 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.99 -48.36 78.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.638 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.08 -47.13 94.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.542 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.426 ' H ' ' HG ' ' A' ' 71' ' ' SER . 87.9 mt -62.58 -40.38 96.7 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.15 -47.53 89.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.189 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -59.35 -45.27 91.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.324 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.91 93.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.07 -39.36 94.49 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.125 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.1 tp -56.49 -48.34 77.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.427 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -67.62 -46.95 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.727 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.42 -47.45 84.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.885 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.23 -44.71 95.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.175 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.9 p -62.63 -45.37 93.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.118 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.8 p -62.34 -47.24 85.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.511 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.529 ' SD ' ' C ' ' A' ' 85' ' ' MET . 16.3 tmm? -59.05 -47.77 84.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.556 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.21 -45.36 94.9 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.102 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.05 91.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.89 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.582 ' NH2' ' O ' ' A' ' 41' ' ' MET . 15.2 tpt85 -61.67 -45.26 94.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.136 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.85 -47.56 85.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.09 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.81 -40.44 95.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.225 0.536 . . . . 0.0 109.869 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.6 mt -60.7 -41.98 90.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.283 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.5 m -57.47 -46.05 84.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.005 0.431 . . . . 0.0 109.849 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' CD ' ' CD2' ' B' ' 26' ' ' LEU . 99.1 mt-10 -62.51 -42.8 99.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.636 179.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.543 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.7 mt -60.06 -43.63 95.27 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.28 -43.16 96.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.508 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -60.11 -39.51 86.48 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.411 ' CD2' ' NE2' ' B' ' 98' ' ' HIS . 39.4 mt -62.19 -42.15 99.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.856 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 70.6 m80 -59.93 -40.88 90.44 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -64.36 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.189 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.654 ' CE ' ' HZ1' ' B' ' 102' ' ' LYS . 27.6 tptp -62.25 -39.99 94.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.211 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.91 -40.62 96.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.354 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -87.65 -7.13 57.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.455 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.537 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -58.09 -35.58 71.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.0 mt-10 -59.22 -76.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' B' ' 3' ' ' GLU . 97.4 mt -37.98 -38.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.474 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.0 -46.89 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.39 . . . . 0.0 110.333 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.0 tt0 -67.67 -36.23 80.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.183 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 96.3 t -64.2 -42.35 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 68.3 t -60.24 -44.06 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.884 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -59.18 -41.42 88.45 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.55 -42.21 97.54 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -62.59 -42.78 99.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.752 0.31 . . . . 0.0 110.361 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.402 HD11 HG23 ' B' ' 12' ' ' ILE . 94.3 mt -63.48 -44.09 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.666 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.07 -44.41 99.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.972 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -61.25 -46.13 91.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.873 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.5 t -60.49 -44.31 96.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.129 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.71 -43.09 98.33 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.2 -45.45 91.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.53 76.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.906 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.67 -45.75 92.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.24 -44.33 79.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.06 -41.59 98.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.667 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.53 -48.93 77.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -60.33 -40.78 91.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.647 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -43.73 96.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.718 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.84 84.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.605 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.427 ' CD2' ' CD ' ' A' ' 93' ' ' GLU . 58.2 tp -61.51 -45.14 95.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.287 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.37 -41.56 72.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.17 -41.54 96.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.864 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.39 96.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.684 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.27 -29.54 69.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.091 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.83 -4.43 54.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.376 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.88 13.37 79.7 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.31 81.49 3.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.75 0.309 . . . . 0.0 110.287 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -64.8 -34.83 79.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.526 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.66 81.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.33 80.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.466 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.11 78.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.509 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.89 -43.95 97.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.593 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.69 99.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.684 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.72 -40.73 92.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.592 ' O ' ' NH2' ' B' ' 88' ' ' ARG . 90.8 mtp -62.19 -42.42 99.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.99 -44.68 97.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.504 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.41 -42.51 96.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.1 m -60.48 -47.77 84.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.544 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -59.5 -43.04 93.45 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.26 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.6 mtp -61.35 -42.27 98.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.282 0.563 . . . . 0.0 110.619 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.93 97.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 87.7 mt -65.55 -39.66 91.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.695 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.3 -40.94 96.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.326 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -65.15 -39.5 93.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.177 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.9 73.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.405 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -60.89 -39.24 88.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.266 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.27 -44.21 95.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.324 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.56 -43.12 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.078 0.466 . . . . 0.0 110.003 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -60.3 -43.28 96.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.26 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -56.48 -42.96 79.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.923 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.4 -40.68 95.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.887 0.375 . . . . 0.0 110.523 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.29 -39.74 82.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.13 -40.07 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.757 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -83.47 -12.77 55.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.556 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.05 -18.73 35.92 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 68.1 t0 -97.13 -31.48 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.55 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.91 136.51 52.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.434 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.79 -164.97 11.41 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -89.11 113.37 24.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.343 . . . . 0.0 110.572 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.05 0.01 74.7 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -98.05 152.82 18.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.645 0.259 . . . . 0.0 110.521 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 99.1 mmm -70.12 138.09 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -93.73 -0.74 55.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 m -108.08 123.48 63.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.418 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 97.1 p -131.04 166.86 20.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.521 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -48.73 80.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.571 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 52.5 t -62.09 -46.72 95.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.654 -178.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' B' ' 71' ' ' SER . 87.7 mt -62.52 -40.31 96.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.046 0.45 . . . . 0.0 110.949 -178.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.27 -47.58 89.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.254 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' B' ' 80' ' ' HIS . 15.6 tm-20 -59.5 -44.98 92.97 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.325 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.92 94.05 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.862 0.363 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.35 -39.03 93.43 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.166 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 34.5 tp -56.72 -48.06 78.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.413 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.601 ' CE1' ' OE2' ' B' ' 76' ' ' GLU . 63.4 m80 -67.96 -46.63 70.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.753 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.56 -47.27 84.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.49 -44.78 95.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.205 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 21.0 p -62.57 -45.31 93.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.197 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 79.0 p -62.27 -47.31 84.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.601 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.53 ' C ' ' SD ' ' B' ' 85' ' ' MET . 16.3 tmm? -59.13 -47.87 83.7 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.532 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.95 -45.42 94.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.147 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.72 88.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.938 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.592 ' NH2' ' O ' ' B' ' 41' ' ' MET . 15.1 tpt85 -61.07 -44.95 96.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.233 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.24 -47.63 85.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.189 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.69 -40.38 95.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.176 0.513 . . . . 0.0 110.051 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 33.7 mt -60.49 -42.04 89.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.192 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 72.4 m -57.67 -45.65 85.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.088 0.47 . . . . 0.0 109.868 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . 0.435 ' CD ' ' CD2' ' C' ' 26' ' ' LEU . 98.7 mt-10 -62.95 -42.36 99.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.491 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.54 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.6 mt -60.6 -43.34 97.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.451 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.44 -43.09 96.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.461 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.22 -39.24 85.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.737 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.411 ' CD2' ' NE2' ' C' ' 98' ' ' HIS . 37.6 mt -62.77 -41.75 99.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.772 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.0 m80 -60.28 -40.88 91.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -64.38 -38.4 90.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.133 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . 0.658 ' CE ' ' HZ1' ' C' ' 102' ' ' LYS . 27.5 tptp -62.29 -39.92 94.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.166 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.63 -41.02 98.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.654 ' HZ1' ' CE ' ' A' ' 100' ' ' LYS . 71.9 mmtt -87.38 -7.12 58.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.572 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.489 -179.863 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -58.02 -35.54 71.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' C' ' 6' ' ' GLU . 96.9 mt-10 -59.47 -76.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.386 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' C' ' 3' ' ' GLU . 97.6 mt -37.79 -38.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.385 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.0 -47.12 78.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.377 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.4 tt0 -67.22 -36.18 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.282 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.53 -41.56 92.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 67.4 t -60.87 -44.16 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.996 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mtp -59.13 -41.26 87.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.19 -42.63 97.89 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.63 -42.61 99.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.353 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.404 HG23 HD11 ' C' ' 12' ' ' ILE . 95.6 mt -63.47 -44.0 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.731 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.35 -44.0 98.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.124 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . 0.402 HD21 ' HA ' ' C' ' 14' ' ' ASN . 7.2 m120 -61.67 -45.93 91.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.824 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.66 -44.23 96.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.158 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.62 -43.58 97.74 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.1 -44.7 94.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.11 74.77 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.45 -45.53 93.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.39 -44.46 80.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.89 -41.37 97.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.722 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.55 -48.96 77.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -60.23 -40.81 91.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.528 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.2 99.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.705 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.82 86.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.621 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.435 ' CD2' ' CD ' ' B' ' 93' ' ' GLU . 58.0 tp -61.72 -44.63 96.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.443 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -55.89 -41.24 74.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.546 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.6 -40.88 96.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.919 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.13 96.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.825 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.98 -29.11 70.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.062 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.87 -4.44 54.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.481 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.87 13.41 79.62 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -95.35 81.5 3.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.755 0.312 . . . . 0.0 110.238 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -64.88 -35.04 79.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.459 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.98 81.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.65 81.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.38 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.15 78.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.45 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -60.88 -43.79 97.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.559 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.09 99.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.37 -40.58 93.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.513 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.588 ' O ' ' NH2' ' C' ' 88' ' ' ARG . 91.2 mtp -62.46 -42.35 99.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.591 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.21 -44.44 97.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.448 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.75 -42.33 95.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.343 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -60.65 -47.51 85.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -59.71 -43.16 94.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.383 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.13 -41.92 97.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.313 0.577 . . . . 0.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.31 96.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.319 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.23 -40.1 93.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.742 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.79 -41.34 95.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.356 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.8 -40.25 94.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.074 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.1 -45.98 75.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.423 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.544 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.7 t-80 -60.95 -38.96 87.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.357 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 mt -60.78 -43.51 97.99 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.338 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.86 -43.24 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.415 . . . . 0.0 109.922 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -60.29 -43.25 96.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.157 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.5 m -56.54 -42.92 79.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.953 0.406 . . . . 0.0 110.183 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.55 -40.27 94.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.546 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.38 -39.65 81.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.37 -39.85 79.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.79 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.553 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 71.9 mm-40 -83.52 -12.79 55.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.426 -179.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.31 -18.31 36.68 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 68.2 t0 -97.3 -31.88 12.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.755 0.312 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.69 136.61 53.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.475 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.98 -164.76 11.33 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -88.89 113.44 24.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.709 0.29 . . . . 0.0 110.648 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.04 -0.12 74.13 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -97.91 152.67 18.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.577 0.227 . . . . 0.0 110.597 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 99.1 mmm -70.01 138.38 52.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.501 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -94.02 -0.75 55.3 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.79 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 m -107.68 123.16 62.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.793 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 93.3 p -130.28 168.7 16.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.501 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . 0.412 ' CD1' ' C ' ' C' ' 72' ' ' LEU . 0.3 OUTLIER -58.79 -49.1 78.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.671 -177.503 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 50.3 t -62.81 -47.12 94.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 130.084 3.354 . . . . 0.0 110.571 -177.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.47 -39.98 94.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.058 0.456 . . . . 0.0 110.989 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.68 -48.18 88.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.215 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.579 ' OE2' ' CE1' ' C' ' 80' ' ' HIS . 15.4 tm-20 -59.32 -45.23 91.91 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.303 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.84 -44.38 93.35 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.925 0.393 . . . . 0.0 110.506 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -62.94 -39.21 93.93 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.259 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 34.0 tp -56.52 -48.15 77.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.467 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.579 ' CE1' ' OE2' ' C' ' 76' ' ' GLU . 62.5 m80 -67.97 -46.59 70.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.7 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.59 -47.38 84.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.871 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.36 -44.65 95.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.344 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.8 p -62.54 -45.84 91.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.18 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -61.8 -47.52 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.571 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.528 ' SD ' ' C ' ' C' ' 85' ' ' MET . 16.4 tmm? -58.76 -48.11 82.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.468 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.01 -45.27 95.51 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.094 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.47 89.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.001 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.588 ' NH2' ' O ' ' C' ' 41' ' ' MET . 15.3 tpt85 -61.5 -45.08 95.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.215 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.8 -47.82 84.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 110.149 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.73 -40.76 95.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.195 0.521 . . . . 0.0 110.037 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 33.3 mt -60.16 -41.9 88.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.418 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 69.7 m -57.72 -45.56 85.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.09 0.472 . . . . 0.0 109.938 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.12 -42.17 99.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.484 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.8 mt -60.63 -43.36 97.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.52 -43.11 96.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.553 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -60.0 -39.57 86.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.738 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 38.5 mt -62.23 -42.02 98.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.902 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.549 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 70.8 m80 -60.13 -40.9 91.39 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -64.39 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.156 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.15 -40.24 95.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.212 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.45 -40.96 98.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.296 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.658 ' HZ1' ' CE ' ' B' ' 100' ' ' LYS . 71.8 mmtt -87.61 -7.1 57.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.498 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.357 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.516 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 121.873 0.844 . . . . 0.0 108.923 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.3 t80 -139.84 142.94 36.57 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.31 38.62 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.916 -1.115 . . . . 0.0 109.506 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.11 149.16 28.49 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.33 18.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.035 -1.041 . . . . 0.0 108.365 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.93 144.39 19.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.4 m -96.64 136.55 37.01 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.092 0.949 . . . . 0.0 110.163 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -84.95 114.33 24.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.92 -4.23 19.36 Favored 'General case' 0 C--N 1.265 -3.073 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.903 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.83 85.76 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 119.754 -1.841 . . . . 0.0 110.595 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -45.47 -47.71 12.77 Favored 'Trans proline' 0 C--N 1.312 -1.395 0 C-N-CA 124.746 3.631 . . . . 0.0 114.099 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -102.12 27.57 6.54 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 116.128 -2.229 . . . . 0.0 108.763 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.91 -141.21 47.72 Favored Glycine 0 N--CA 1.497 2.737 0 C-N-CA 117.645 -2.217 . . . . 0.0 109.565 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.6 81.77 3.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.92 -1.341 . . . . 0.0 109.489 -176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -80.33 176.21 9.97 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 117.872 -1.531 . . . . 0.0 112.154 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 74.8 p -34.58 -65.88 0.19 Allowed 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.525 ' NH1' ' C ' ' A' ' 16' ' ' GLY . 4.5 tpt180 -55.73 -56.73 26.71 Favored Pre-proline 0 N--CA 1.493 1.694 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.566 -177.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.1 -32.13 64.29 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.156 1.237 . . . . 0.0 111.578 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.03 -38.84 86.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.234 -0.916 . . . . 0.0 109.464 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.79 72.57 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -63.94 -39.37 94.0 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 117.975 -1.49 . . . . 0.0 109.453 177.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.546 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.76 -45.28 93.41 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 122.586 1.184 . . . . 0.0 108.647 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 56.4 t -62.61 -42.22 95.12 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.725 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -63.92 -40.27 96.09 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.74 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.84 -39.62 79.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.423 -0.798 . . . . 0.0 109.569 178.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.92 91.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.603 -1.31 . . . . 0.0 109.446 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.38 -16.29 44.91 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.85 -10.56 86.04 Favored Glycine 0 N--CA 1.48 1.581 0 O-C-N 119.93 -1.731 . . . . 0.0 109.308 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.401 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.48 143.38 32.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.32 -1.694 . . . . 0.0 110.039 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.6 -30.13 59.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.178 -0.951 . . . . 0.0 112.339 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.71 158.54 10.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 119.808 -1.807 . . . . 0.0 112.78 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.58 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.2 35.37 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 102.858 -3.016 . . . . 0.0 102.858 171.219 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.62 136.59 60.36 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.393 0 CA-C-O 122.254 1.026 . . . . 0.0 109.309 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.408 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.4 m -124.91 143.16 51.01 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 123.056 1.407 . . . . 0.0 110.009 178.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.408 ' N ' HG23 ' D' ' 334' ' ' THR . 86.8 t -108.02 129.9 61.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 173.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.9 m -127.41 119.55 26.43 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.9 -1.125 . . . . 0.0 108.988 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.54 39.13 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.548 -0.72 . . . . 0.0 109.912 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.83 38.97 24.7 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.895 -1.128 . . . . 0.0 112.745 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.01 83.62 Favored Glycine 0 N--CA 1.501 2.994 0 O-C-N 119.878 -1.764 . . . . 0.0 112.532 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.87 136.31 54.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.9 m -124.86 158.61 33.02 Favored 'General case' 0 C--N 1.276 -2.609 0 CA-C-O 123.761 1.743 . . . . 0.0 112.425 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.35 31.31 Favored 'General case' 0 C--N 1.279 -2.489 0 CA-C-N 112.462 -2.154 . . . . 0.0 108.597 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.668 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.58 135.98 48.89 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 173.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.96 -6.73 47.26 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.656 -1.278 . . . . 0.0 110.736 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.668 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.54 13.01 31.47 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.657 -1.277 . . . . 0.0 109.386 -177.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.3 p -133.03 104.11 6.37 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.108 0.956 . . . . 0.0 110.188 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.7 tp -57.21 -37.91 72.92 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.971 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . 0.404 ' CZ ' ' OE2' ' A' ' 5' ' ' GLU . 21.2 m-85 -58.91 -51.36 70.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.652 -1.28 . . . . 0.0 113.094 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.04 -32.44 70.57 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 119.572 -1.955 . . . . 0.0 109.256 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.8 -33.75 75.85 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 118.981 -1.088 . . . . 0.0 109.945 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.505 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 67.7 tp60 -67.63 -10.36 51.48 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.659 -0.651 . . . . 0.0 110.015 -177.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 352' ' ' THR . . . . . 0.472 ' C ' ' OE1' ' C' ' 60' ' ' GLU . 33.6 p -89.83 -7.8 53.48 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 118.183 -1.407 . . . . 0.0 110.875 -178.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.33 159.28 15.33 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.181 -0.949 . . . . 0.0 110.2 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 106.894 -2.482 . . . . 0.0 106.894 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.9 mt -119.55 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.215 0 O-C-N 120.632 -1.511 . . . . 0.0 107.352 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 73.3 p -81.5 172.58 13.32 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.219 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -60.68 140.88 57.33 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.845 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.5 -3.26 78.75 Favored Glycine 0 N--CA 1.5 2.906 0 C-N-CA 120.057 -1.068 . . . . 0.0 111.322 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.42 135.93 34.06 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.892 -1.358 . . . . 0.0 110.634 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.7 t -96.52 123.64 48.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.08 160.11 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.305 0 C-N-CA 117.416 -1.714 . . . . 0.0 110.707 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.9 128.36 54.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.502 -1.374 . . . . 0.0 107.547 175.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.2 mt -107.9 121.36 60.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.22 50.69 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.71 153.33 47.21 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 118.582 -1.247 . . . . 0.0 109.801 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.07 110.8 6.46 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 118.556 -1.257 . . . . 0.0 108.057 178.174 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.33 40.17 Favored Glycine 0 C--N 1.295 -1.726 0 C-N-CA 118.025 -2.035 . . . . 0.0 110.358 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.4 -40.6 82.85 Favored 'General case' 0 C--N 1.276 -2.612 0 CA-C-N 114.384 -0.908 . . . . 0.0 112.18 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.09 36.83 3.53 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 115.87 -2.332 . . . . 0.0 108.531 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.3 -33.6 65.71 Favored 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -174.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.468 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.59 27.24 Favored 'General case' 0 N--CA 1.509 2.511 0 O-C-N 119.585 -1.947 . . . . 0.0 110.981 -176.557 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.77 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.74 97.9 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.54 77.5 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.437 -1.705 . . . . 0.0 110.069 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.77 -42.24 89.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 CA-C-O 122.197 0.999 . . . . 0.0 109.291 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.86 -47.93 76.43 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 122.037 0.922 . . . . 0.0 108.734 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.77 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.76 -38.36 76.75 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.732 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.9 mt -75.51 -28.67 59.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.449 -1.407 . . . . 0.0 110.908 -174.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.48 71.27 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.413 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.27 63.01 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.2 tp -57.21 -45.27 83.96 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.066 -1.054 . . . . 0.0 110.523 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.39 -37.31 85.26 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.893 -1.129 . . . . 0.0 111.518 -177.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.83 61.6 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.039 -1.038 . . . . 0.0 110.223 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.32 45.86 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.554 -0.716 . . . . 0.0 111.35 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.02 125.51 12.27 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 124.315 2.007 . . . . 0.0 112.925 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.903 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 13.9 pt-20 . . . . . 0 C--N 1.277 -2.57 0 CA-C-N 111.128 -2.76 . . . . 0.0 110.128 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -61.64 -36.01 79.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.53 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 4' ' ' LEU . 79.3 mm-40 -60.1 -78.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.43 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 3' ' ' GLU . 96.3 mt -39.13 -36.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.401 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.404 ' OE2' ' CZ ' ' D' ' 348' ' ' PHE . 84.2 tt0 -63.49 -50.08 71.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.922 0.391 . . . . 0.0 110.28 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 3' ' ' GLU . 49.7 tp10 -66.5 -36.78 83.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.334 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.45 -42.71 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.376 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.34 -45.03 97.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.972 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -59.54 -41.66 90.58 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.36 -42.08 99.25 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.73 -43.26 97.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.26 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.16 -44.29 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.8 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.92 -44.23 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.985 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -61.65 -45.47 93.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.811 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.4 p -60.03 -44.12 94.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.98 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.525 ' C ' ' NH1' ' D' ' 317' ' ' ARG . . . -63.91 -42.23 98.43 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.4 -43.38 97.71 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.38 -49.1 78.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.839 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.53 -45.77 92.61 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.7 m -55.0 -43.76 73.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.41 -41.03 98.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.65 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.16 -47.79 82.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.27 -41.88 89.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.63 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.13 91.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.698 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.71 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.683 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.78 -45.68 92.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.391 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -54.27 -43.59 71.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.84 -41.48 87.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.846 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.424 ' O ' ' OXT' ' A' ' 103' ' ' ALA . . . -59.61 -43.79 93.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.779 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.85 -30.93 70.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.094 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -82.54 -5.0 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.465 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.64 15.26 78.33 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -96.56 81.47 3.22 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.763 0.316 . . . . 0.0 110.275 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -65.07 -33.6 76.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.653 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.39 79.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 110.741 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.25 80.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.319 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.84 82.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.584 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.53 -42.61 99.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.6 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.92 99.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.796 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.7 mtt -66.08 -41.8 90.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.463 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.475 ' O ' ' OG ' ' A' ' 44' ' ' SER . 72.3 mtm -63.77 -41.85 97.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.645 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.53 -45.18 94.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 110.578 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.84 -41.18 97.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.166 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 41' ' ' MET . 77.5 p -61.15 -46.0 92.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -59.89 -42.67 94.34 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.3 ttp -60.17 -43.55 95.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.185 0.516 . . . . 0.0 110.639 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.21 -41.77 99.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.174 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.24 -40.27 93.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.684 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.2 -41.34 96.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.269 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.86 -39.76 94.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.217 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.49 -45.33 79.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.41 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -62.43 -38.52 90.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.419 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.59 -43.07 99.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.305 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.48 -43.5 94.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.449 . . . . 0.0 110.05 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.526 ' OE1' ' CD1' ' A' ' 59' ' ' ILE . 1.1 tm0? -61.06 -42.36 98.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.297 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 m -56.21 -44.36 79.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.021 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -61.39 -37.36 83.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.497 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.75 -28.32 69.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.689 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.526 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 96.0 mt -89.93 -33.03 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' O ' ' A' ' 61' ' ' GLY . 77.5 mm-40 -72.93 -31.63 64.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.597 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 60' ' ' GLU . . . 33.96 96.84 0.01 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -58.89 -44.79 91.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.27 144.63 51.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.63 -79.47 0.66 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.27 133.33 50.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.709 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.29 -21.16 44.15 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -103.01 105.02 15.25 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.692 0.282 . . . . 0.0 110.48 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -93.83 145.22 24.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.628 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.61 -80.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t -97.58 115.91 38.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.695 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 p -128.31 161.76 28.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.52 -43.77 80.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.676 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.06 -44.12 99.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.903 0.382 . . . . 0.0 110.579 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.98 -41.66 98.28 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.975 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.7 -46.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.191 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -58.2 -46.62 85.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.791 0.329 . . . . 0.0 110.248 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.07 98.27 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.638 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.497 ' OE1' ' OE2' ' B' ' 76' ' ' GLU . 85.0 mt-30 -63.22 -40.04 96.34 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.196 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.4 tp -57.69 -46.57 84.14 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.444 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -67.82 -47.75 68.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.727 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.57 -46.0 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.805 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -63.0 -44.09 96.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.155 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.6 p -63.6 -48.22 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.049 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.9 t -61.73 -48.55 80.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.443 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.2 ttp -57.93 -48.24 80.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.512 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.95 -45.25 94.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.876 0.369 . . . . 0.0 110.087 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.37 -47.54 85.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.811 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -58.85 -45.02 91.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.112 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.73 -44.26 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.109 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.0 mt -64.75 -43.99 91.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.168 0.508 . . . . 0.0 109.895 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.09 -42.01 91.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.306 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 86.9 m -57.56 -45.77 84.73 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.639 -0.425 . . . . 0.0 109.869 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.81 -41.85 99.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.545 178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.436 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 16.6 mt -60.32 -42.02 94.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.417 HG23 HD13 ' A' ' 95' ' ' ILE . 88.2 mt -61.21 -42.84 94.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.516 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.583 ' OE2' ' NZ ' ' B' ' 30' ' ' LYS . 84.5 tt0 -60.65 -38.83 86.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.735 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.0 mt -61.9 -41.09 97.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.888 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.6 m80 -59.67 -40.32 87.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.68 -41.44 81.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.201 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -62.71 -33.6 75.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.275 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.6 mt -82.15 -9.86 59.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.406 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.4 tttp 72.63 15.04 5.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.424 ' OXT' ' O ' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.218 -0.599 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.568 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -61.58 -36.66 81.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.0 mm-40 -59.37 -78.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.395 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' B' ' 3' ' ' GLU . 96.5 mt -39.02 -36.63 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.486 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.57 -50.0 71.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.982 0.42 . . . . 0.0 110.402 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' B' ' 3' ' ' GLU . 48.9 tp10 -66.33 -36.87 84.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.226 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.55 -42.22 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.362 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 75.5 t -60.88 -45.03 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.914 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.7 mtp -59.34 -41.8 90.02 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.49 -42.16 99.05 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.58 -43.05 98.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.798 0.333 . . . . 0.0 110.344 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.44 -44.51 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.722 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.402 HG21 HD13 ' B' ' 13' ' ' ILE . 87.6 mt -63.54 -44.54 98.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.912 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -61.41 -45.55 93.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.881 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -59.93 -43.9 94.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.135 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.22 -41.99 98.1 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.5 -43.34 97.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.34 -49.17 78.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.922 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.59 -45.51 93.69 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.6 m -55.15 -43.89 74.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.97 -41.73 98.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.793 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.76 81.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -59.3 -41.56 89.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.68 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.84 91.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.639 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.8 91.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.696 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.72 -45.83 92.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.328 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.2 -43.61 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.75 -41.34 86.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.903 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.44 ' O ' ' OXT' ' B' ' 103' ' ' ALA . . . -59.82 -43.88 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.698 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.583 ' NZ ' ' OE2' ' A' ' 96' ' ' GLU . 67.9 mttm -60.7 -31.0 70.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.05 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -82.44 -5.2 58.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.419 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.48 15.56 77.88 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -96.37 80.74 3.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.774 0.321 . . . . 0.0 110.34 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -64.55 -33.63 76.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.587 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.46 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.012 0.434 . . . . 0.0 110.737 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.03 79.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.442 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.83 82.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.577 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.52 -42.51 98.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.574 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.41 98.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.683 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.68 -41.54 92.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.516 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.46 ' O ' ' OG ' ' B' ' 44' ' ' SER . 72.6 mtm -63.95 -42.16 97.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.558 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.16 -45.36 93.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.458 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.79 -40.88 97.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.333 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.3 p -61.44 -46.09 91.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.49 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.404 ' HE ' ' NH2' ' B' ' 88' ' ' ARG . 42.2 ttm180 -59.83 -42.74 94.21 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 64.8 ttp -60.03 -44.03 94.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.277 0.561 . . . . 0.0 110.675 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.98 99.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.182 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.97 -40.25 94.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.757 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.3 -41.45 96.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.38 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.77 -39.57 93.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.194 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.31 79.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.415 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -62.54 -38.58 90.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.293 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.41 -43.32 99.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.317 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -65.0 -44.03 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.141 0.496 . . . . 0.0 110.038 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.535 ' OE1' ' CD1' ' B' ' 59' ' ' ILE . 1.1 tm0? -60.75 -42.34 97.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.204 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -56.45 -44.11 80.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.947 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.4 -37.35 83.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.915 0.388 . . . . 0.0 110.527 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.84 -28.27 69.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.692 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.535 ' CD1' ' OE1' ' B' ' 55' ' ' GLN . 96.2 mt -89.97 -32.92 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.73 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.504 ' O ' ' O ' ' B' ' 61' ' ' GLY . 77.3 mm-40 -73.38 -31.48 63.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' B' ' 60' ' ' GLU . . . 33.84 97.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.4 -44.43 92.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.573 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.52 144.04 51.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.471 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.87 -79.93 0.6 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -66.14 133.49 50.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 0.0 110.658 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.5 -21.39 42.86 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -102.75 105.91 16.43 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.637 0.256 . . . . 0.0 110.496 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -94.54 146.04 24.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.47 -80.66 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.82 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.7 t -98.42 116.01 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.755 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 13.3 p -127.94 164.33 22.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.5 -178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.72 -43.05 94.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.561 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.01 -43.39 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.561 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.21 -41.16 98.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.037 0.446 . . . . 0.0 110.945 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -60.06 -46.77 93.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.298 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.497 ' OE2' ' OE1' ' A' ' 78' ' ' GLN . 44.8 tp10 -58.29 -46.17 86.6 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.299 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.19 97.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.895 0.378 . . . . 0.0 110.433 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.515 ' OE1' ' OE2' ' C' ' 76' ' ' GLU . 84.5 mt-30 -63.11 -39.6 95.16 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.187 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 43.6 tp -58.13 -46.73 85.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.381 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -67.65 -47.92 68.19 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.796 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.23 -46.44 90.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.39 -44.34 96.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.256 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 21.6 p -63.62 -47.79 79.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.127 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -61.76 -48.56 80.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -58.17 -48.54 79.96 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.458 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 8.8 tp -61.63 -45.34 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.096 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.07 -47.93 83.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.905 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.404 ' NH2' ' HE ' ' B' ' 45' ' ' ARG . 3.2 tmt_? -58.36 -45.32 88.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.245 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.69 -44.13 97.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.117 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.85 -43.77 91.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.062 0.458 . . . . 0.0 109.994 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.1 -42.29 92.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.197 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -57.3 -45.6 83.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.018 0.437 . . . . 0.0 109.835 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.16 -41.73 99.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.495 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.472 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 16.4 mt -60.33 -42.08 94.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.08 -42.91 95.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.52 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.543 ' OE2' ' NZ ' ' C' ' 30' ' ' LYS . 84.5 tt0 -60.62 -38.87 86.19 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.96 -41.08 97.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.861 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.4 m80 -59.65 -39.8 85.58 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.15 -41.66 84.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.097 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -62.87 -33.4 75.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.224 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 84.2 mt -81.89 -10.46 59.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.409 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 38.5 tttp 72.74 15.54 4.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . 0.44 ' OXT' ' O ' ' B' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.898 -1.048 . . . . 0.0 110.59 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -62.02 -36.11 80.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.612 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.5 mm-40 -59.74 -78.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.314 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' C' ' 3' ' ' GLU . 96.5 mt -39.21 -36.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.439 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.48 -49.63 72.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.407 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' C' ' 3' ' ' GLU . 48.3 tp10 -66.88 -36.44 82.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.348 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.65 -42.26 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.364 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 75.1 t -60.87 -45.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.986 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.13 -41.89 89.33 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.18 99.21 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.41 -43.08 98.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.41 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.402 HD12 HG23 ' C' ' 12' ' ' ILE . 93.5 mt -63.47 -44.53 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.674 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.5 -44.38 98.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.083 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' C' ' 14' ' ' ASN . 47.6 t-20 -61.37 -45.8 92.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.826 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 79.6 p -59.79 -43.92 94.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.156 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.09 -42.08 98.23 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.63 -43.45 96.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -49.07 78.31 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.9 -45.48 94.44 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 65.5 m -55.09 -44.18 74.62 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.58 -41.62 97.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.741 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.62 82.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.37 -41.72 89.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.428 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.29 90.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.47 93.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.59 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.89 -45.79 92.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.389 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -54.26 -43.65 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -58.79 -41.07 85.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.882 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . 0.424 ' O ' ' OXT' ' C' ' 103' ' ' ALA . . . -59.98 -44.0 94.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.808 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OE2' ' B' ' 96' ' ' GLU . 68.0 mttm -60.7 -30.84 70.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.998 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -82.32 -5.2 58.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.487 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.62 15.48 77.86 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -96.53 80.78 3.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.781 0.324 . . . . 0.0 110.316 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -64.48 -33.79 76.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.537 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.34 -48.18 80.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.67 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.16 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.403 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -47.83 82.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.512 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.45 -42.76 99.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.629 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.0 99.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.94 -41.93 90.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.559 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.477 ' O ' ' OG ' ' C' ' 44' ' ' SER . 73.1 mtm -63.73 -41.94 97.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.603 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.25 -45.68 92.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.48 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.56 -40.79 97.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.332 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' SER . . . . . 0.477 ' OG ' ' O ' ' C' ' 41' ' ' MET . 77.4 p -61.53 -45.85 92.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.494 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -59.99 -42.64 94.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.354 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.4 ttp -60.31 -43.9 95.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.316 0.579 . . . . 0.0 110.528 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.15 99.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.356 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.63 -40.86 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.705 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -60.8 -41.54 95.84 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.364 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.6 -39.84 94.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.989 0.423 . . . . 0.0 110.065 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.65 79.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.434 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.0 -38.96 90.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.4 -42.86 99.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.291 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.7 t -65.48 -43.8 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.963 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.526 ' OE1' ' CD1' ' C' ' 59' ' ' ILE . 1.1 tm0? -60.9 -42.58 98.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.313 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -55.93 -44.28 78.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.195 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.24 -37.39 82.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.485 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.76 -28.16 69.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.526 ' CD1' ' OE1' ' C' ' 55' ' ' GLN . 96.3 mt -89.95 -33.0 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 77.3 mm-40 -73.28 -31.62 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.373 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' C' ' 60' ' ' GLU . . . 33.98 96.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.0 -45.01 91.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.821 0.343 . . . . 0.0 110.576 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.07 144.37 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.469 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.42 -79.58 0.65 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -66.2 133.61 51.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.339 . . . . 0.0 110.609 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.25 -21.33 43.54 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -102.71 105.42 15.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.633 0.254 . . . . 0.0 110.59 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -94.38 146.15 24.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.564 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.2 -81.02 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.772 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 t -98.29 115.94 39.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.69 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 14.5 p -127.23 166.26 18.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.485 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.41 -44.4 92.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.698 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.03 -44.21 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 130.087 3.355 . . . . 0.0 110.576 -177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.414 HD21 HE22 ' C' ' 55' ' ' GLN . 92.7 mt -63.9 -40.89 97.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.044 0.449 . . . . 0.0 110.992 177.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -60.4 -47.25 93.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.21 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . 0.515 ' OE2' ' OE1' ' B' ' 78' ' ' GLN . 45.2 tp10 -58.55 -46.03 87.71 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.23 97.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.427 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -63.11 -40.26 97.1 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.302 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 43.2 tp -57.24 -47.13 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.457 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -67.35 -48.15 68.36 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.737 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.16 -46.12 91.85 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.858 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.7 -44.13 97.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.306 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 22.5 p -63.81 -47.85 79.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.21 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -61.91 -48.23 81.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.589 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -58.42 -48.25 81.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.501 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -61.88 -45.17 94.91 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.146 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.66 84.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.894 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -58.48 -45.55 88.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.232 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.32 -44.37 96.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.133 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.59 -43.99 92.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.135 0.493 . . . . 0.0 110.03 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.2 -42.01 91.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.358 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 91.2 m -57.46 -45.75 84.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.123 0.487 . . . . 0.0 109.947 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.06 -41.81 99.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.469 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.481 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 16.6 mt -59.89 -42.43 93.79 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.419 HD13 HG23 ' C' ' 95' ' ' ILE . 88.8 mt -60.83 -42.94 94.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.609 178.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.37 -38.97 85.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.755 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.94 -41.18 97.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.91 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.481 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 72.0 m80 -59.5 -39.77 84.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.743 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.32 -41.3 84.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.114 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -62.97 -33.57 75.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.195 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 85.9 mt -81.78 -11.04 59.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.354 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 38.7 tttp 73.57 15.06 4.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . 0.424 ' OXT' ' O ' ' C' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.564 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.513 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 121.849 0.833 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 142.99 36.72 Favored 'General case' 0 C--N 1.287 -2.145 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.99 156.31 38.59 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.994 -1.066 . . . . 0.0 109.561 179.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.16 28.49 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.33 18.94 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.047 -1.033 . . . . 0.0 108.361 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.33 19.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.77 136.69 36.95 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.194 0.997 . . . . 0.0 110.083 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -85.04 114.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.86 -4.34 19.34 Favored 'General case' 0 C--N 1.265 -3.088 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.902 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.78 85.76 Favored Pre-proline 0 N--CA 1.5 2.033 0 O-C-N 119.657 -1.902 . . . . 0.0 110.618 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -45.45 -47.76 12.65 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 124.777 3.651 . . . . 0.0 114.116 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.593 HD22 ' CD2' ' D' ' 315' ' ' HIS . 42.3 p30 -102.11 27.66 6.45 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 116.026 -2.269 . . . . 0.0 108.758 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.43 -142.24 46.99 Favored Glycine 0 N--CA 1.498 2.777 0 C-N-CA 117.646 -2.216 . . . . 0.0 109.584 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.2 tp -93.35 81.18 4.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.333 . . . . 0.0 109.555 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.593 ' CD2' HD22 ' D' ' 312' ' ' ASN . 2.9 p80 -79.21 177.16 9.03 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 117.885 -1.526 . . . . 0.0 112.161 -178.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 17.9 p -35.72 -65.73 0.23 Allowed 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -176.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.427 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 13.9 ttt-85 -56.26 -56.35 32.37 Favored Pre-proline 0 N--CA 1.493 1.705 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.51 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.06 -32.13 64.76 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.365 1.376 . . . . 0.0 111.541 -177.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.84 86.66 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.251 -0.906 . . . . 0.0 109.492 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.92 -39.71 72.54 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.97 -39.35 93.93 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.959 -1.496 . . . . 0.0 109.508 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.551 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.77 -45.34 93.14 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 122.564 1.173 . . . . 0.0 108.633 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.66 -42.16 94.98 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.264 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.677 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . 0.453 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 97.5 mttt -63.93 -40.26 96.04 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.317 -0.864 . . . . 0.0 109.781 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.458 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.63 79.94 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.46 -0.775 . . . . 0.0 109.617 177.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.93 91.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.594 -1.316 . . . . 0.0 109.47 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.41 -16.19 44.21 Favored 'General case' 0 N--CA 1.511 2.6 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.55 86.07 Favored Glycine 0 N--CA 1.48 1.583 0 O-C-N 119.88 -1.762 . . . . 0.0 109.348 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.51 143.31 32.9 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.287 -1.713 . . . . 0.0 110.002 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.8 p -75.58 -30.04 59.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.244 -0.91 . . . . 0.0 112.34 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.8 158.58 10.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 119.842 -1.786 . . . . 0.0 112.75 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.582 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.32 35.44 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 102.862 -3.014 . . . . 0.0 102.862 171.256 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.71 136.65 60.18 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.487 0 CA-C-O 122.185 0.993 . . . . 0.0 109.301 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.411 HG23 ' N ' ' D' ' 335' ' ' VAL . 94.1 m -125.06 143.27 51.0 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-O 123.123 1.44 . . . . 0.0 109.933 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.411 ' N ' HG23 ' D' ' 334' ' ' THR . 86.1 t -108.14 129.92 61.57 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.702 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 173.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.404 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.44 119.6 26.49 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.851 -1.156 . . . . 0.0 108.917 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.62 122.58 39.18 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.901 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.73 39.01 24.47 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.866 -1.146 . . . . 0.0 112.781 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.1 83.51 Favored Glycine 0 N--CA 1.501 3.029 0 O-C-N 119.912 -1.743 . . . . 0.0 112.549 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.94 136.26 54.59 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.78 158.59 32.96 Favored 'General case' 0 C--N 1.276 -2.588 0 CA-C-O 123.796 1.76 . . . . 0.0 112.399 -176.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.46 31.51 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 112.436 -2.166 . . . . 0.0 108.594 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.656 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.62 135.86 48.74 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 105.634 -1.988 . . . . 0.0 105.634 173.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.94 -6.78 47.54 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.701 -1.249 . . . . 0.0 110.753 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.656 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.46 12.98 31.44 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.665 -1.272 . . . . 0.0 109.367 -177.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 97.3 p -133.09 104.23 6.41 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 122.213 1.006 . . . . 0.0 110.127 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.27 -37.9 73.08 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.964 178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -58.9 -51.29 70.65 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.565 -1.334 . . . . 0.0 113.086 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.08 -32.53 70.65 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 119.589 -1.945 . . . . 0.0 109.197 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.67 -33.8 75.79 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.954 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.596 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 44.1 tp60 -67.69 -10.47 52.7 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.588 -0.695 . . . . 0.0 109.945 -177.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.8 p -89.7 -7.78 53.82 Favored 'General case' 0 N--CA 1.503 2.194 0 C-N-CA 118.089 -1.445 . . . . 0.0 110.917 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . 0.408 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.8 mt -93.31 159.36 15.3 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.177 -0.952 . . . . 0.0 110.135 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.82 2.96 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 106.992 -2.443 . . . . 0.0 106.992 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.0 mt -119.56 47.3 1.74 Allowed 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.719 -1.46 . . . . 0.0 107.366 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 4.0 p -81.41 172.52 13.44 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.77 -1.172 . . . . 0.0 109.184 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.63 140.92 57.24 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.897 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.28 78.99 Favored Glycine 0 N--CA 1.5 2.941 0 C-N-CA 119.978 -1.106 . . . . 0.0 111.378 177.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.6 m -84.37 135.85 34.12 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.87 -1.371 . . . . 0.0 110.66 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.48 123.72 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.08 160.1 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.326 0 C-N-CA 117.409 -1.716 . . . . 0.0 110.69 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.404 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 88.5 m -108.92 128.29 54.8 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.549 -1.344 . . . . 0.0 107.681 175.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.86 121.35 60.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.31 50.69 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.39 47.15 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 118.48 -1.288 . . . . 0.0 109.726 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.78 6.43 Favored 'General case' 0 C--N 1.287 -2.122 0 C-N-CA 118.535 -1.266 . . . . 0.0 108.059 178.201 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.16 -170.31 40.09 Favored Glycine 0 C--N 1.296 -1.687 0 C-N-CA 118.011 -2.042 . . . . 0.0 110.365 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.68 82.87 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.356 -0.922 . . . . 0.0 112.169 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.05 36.86 3.51 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 115.874 -2.33 . . . . 0.0 108.538 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.6 65.82 Favored 'General case' 0 N--CA 1.521 3.078 0 N-CA-C 116.863 2.171 . . . . 0.0 116.863 -174.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.502 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.57 27.32 Favored 'General case' 0 N--CA 1.509 2.498 0 O-C-N 119.503 -1.998 . . . . 0.0 110.987 -176.541 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.776 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.6 -40.7 97.59 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.5 77.65 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 117.463 -1.695 . . . . 0.0 110.066 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.5 t -66.88 -42.25 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-O 122.148 0.975 . . . . 0.0 109.198 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.89 76.55 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-O 122.089 0.947 . . . . 0.0 108.774 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.776 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.7 -38.44 76.96 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.69 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.551 HD22 ' CE1' ' D' ' 322' ' ' PHE . 81.0 mt -75.55 -28.61 59.1 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.397 -1.44 . . . . 0.0 110.911 -174.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.43 70.57 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.426 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.96 -49.23 62.98 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.458 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.2 -45.3 83.92 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.518 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.31 -37.43 85.52 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.832 -1.168 . . . . 0.0 111.554 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.81 -31.92 61.85 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.079 -1.013 . . . . 0.0 110.275 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.79 -32.33 46.39 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.534 -0.729 . . . . 0.0 111.367 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.15 125.53 12.51 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 124.321 2.01 . . . . 0.0 112.939 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.902 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.1 mt-10 . . . . . 0 C--N 1.277 -2.573 0 CA-C-N 111.133 -2.758 . . . . 0.0 110.148 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.55 145.94 55.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 6' ' ' GLU . 81.2 tt0 -62.62 -36.28 82.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.477 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 3' ' ' GLU . 96.8 mt -37.23 -30.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.403 -179.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 6' ' ' GLU . 15.0 pt-20 -65.08 -43.8 90.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.886 0.374 . . . . 0.0 110.264 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.5 mt-10 -66.91 -34.86 78.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.239 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.24 -43.11 98.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.398 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.5 t -60.98 -43.99 97.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.974 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -58.86 -42.27 89.02 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.07 -41.36 97.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.35 -43.1 98.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.373 . . . . 0.0 110.162 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.07 -44.03 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.713 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.453 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 90.1 mt -63.58 -44.28 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.941 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.89 -46.36 89.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.803 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.2 m -60.12 -44.63 94.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.003 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.9 -42.66 99.63 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.15 -43.36 98.52 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.33 -49.3 76.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.859 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.64 -46.15 91.4 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -54.78 -44.41 73.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.31 -42.88 99.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.688 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.57 -50.16 74.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.53 -41.6 90.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.631 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.78 92.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.764 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.69 90.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.661 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.28 -45.12 95.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.446 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.48 -42.17 74.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.84 -41.61 96.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.83 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.47 93.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.667 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.27 -29.58 69.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.164 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.65 -4.1 53.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.26 14.26 74.77 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -97.25 80.59 2.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.76 0.314 . . . . 0.0 110.28 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -64.94 -34.67 78.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.693 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.27 80.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.046 0.451 . . . . 0.0 110.765 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.32 80.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.38 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.55 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.94 -42.05 99.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.86 0.362 . . . . 0.0 110.6 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.69 99.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.9 mmm -66.25 -40.33 90.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.45 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.467 ' O ' ' OG ' ' A' ' 44' ' ' SER . 91.3 mtp -63.15 -41.21 99.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.597 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.52 -43.82 97.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.049 0.452 . . . . 0.0 110.597 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -64.03 -40.85 97.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.266 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.467 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.2 p -62.0 -46.43 89.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.27 -42.7 95.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.305 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.6 mtp -61.36 -42.22 98.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.229 0.538 . . . . 0.0 110.533 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.42 90.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.202 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.5 -40.12 92.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 49' ' ' ASN . 50.6 t-20 -60.99 -42.49 98.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.34 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.89 -40.3 94.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.193 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.14 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.431 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -60.22 -40.0 88.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 mt -60.48 -44.28 96.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.371 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.5 t -66.48 -42.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 109.976 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.405 HE21 HD22 ' A' ' 74' ' ' LEU . 67.5 tp60 -60.82 -44.55 96.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 m -56.11 -43.01 77.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.054 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -61.13 -39.93 91.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.485 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.72 -39.09 80.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.713 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.476 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 97.5 mt -67.95 -39.66 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.889 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -85.33 -11.44 54.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.45 -18.76 37.52 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.494 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 53.3 p-10 -67.7 146.19 54.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 110.543 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.09 139.49 58.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.55 -17.34 3.94 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.576 ' C ' ' H ' ' A' ' 67' ' ' LYS . 98.0 mt-10 -68.22 121.55 16.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 110.688 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.24 -37.41 0.25 Allowed Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.576 ' H ' ' C ' ' A' ' 65' ' ' GLU . 53.8 mtmt -97.61 144.43 27.28 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.702 0.287 . . . . 0.0 110.439 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.3 tpp -68.96 152.76 44.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -74.16 -1.31 19.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.5 t -99.4 121.01 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.657 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.475 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 95.3 p -127.74 159.25 35.36 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.34 -43.04 88.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.644 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.7 t -63.41 -48.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.841 0.353 . . . . 0.0 110.531 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.475 ' H ' ' HG ' ' A' ' 71' ' ' SER . 96.2 mt -63.3 -40.73 98.15 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.032 0.444 . . . . 0.0 110.896 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.98 -46.95 93.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.169 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -58.44 -46.34 86.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.837 0.351 . . . . 0.0 110.345 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.95 95.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.606 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.17 -41.53 99.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.16 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 tp -57.23 -46.65 82.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.384 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -66.92 -46.94 73.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.693 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.35 -46.12 91.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.841 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.43 -44.17 97.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.169 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.3 p -63.25 -45.9 89.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.114 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.522 ' HG ' ' N ' ' A' ' 85' ' ' MET . 78.1 p -63.1 -49.8 73.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.462 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.522 ' N ' ' HG ' ' A' ' 84' ' ' SER . 8.7 tpp -57.14 -48.52 78.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.503 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.1 -44.13 97.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.015 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.75 82.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.861 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -58.58 -45.4 89.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.188 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -60.83 -44.69 96.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.069 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.98 -42.14 97.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.19 0.519 . . . . 0.0 109.908 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -60.89 -42.33 92.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.7 m -57.32 -46.04 83.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.058 0.456 . . . . 0.0 109.882 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.79 -43.21 97.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 0.0 109.629 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 75.5 mt -59.85 -43.82 94.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 90.9 mt -61.21 -42.96 95.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.523 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.537 ' CD ' ' NZ ' ' B' ' 30' ' ' LYS . 81.5 tt0 -60.86 -39.77 90.41 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.5 mt -62.22 -41.66 98.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.893 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 69.6 m80 -59.79 -40.1 87.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 102' ' ' LYS . 81.6 tt0 -61.74 -39.57 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.25 -39.36 93.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.217 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.5 mt -64.13 -41.98 97.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.363 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.3 mttt -91.71 142.54 27.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.55 179.903 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.64 145.81 55.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.55 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' B' ' 6' ' ' GLU . 81.8 tt0 -62.38 -36.58 82.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.448 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' B' ' 3' ' ' GLU . 97.2 mt -37.05 -30.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.493 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' B' ' 6' ' ' GLU . 15.0 pt-20 -64.86 -44.08 90.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.967 0.413 . . . . 0.0 110.381 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.3 mt-10 -66.45 -35.02 79.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.267 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.22 -43.35 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.352 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 82.1 t -60.76 -43.69 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.845 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.8 mtp -59.2 -42.18 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.23 -41.41 96.83 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 37.6 mt -63.03 -43.27 99.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.336 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.418 HD13 HG21 ' B' ' 12' ' ' ILE . 92.0 mt -63.14 -44.29 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.775 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.3 -44.13 98.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.976 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -61.85 -46.42 89.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.859 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 70.3 m -59.98 -44.68 94.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.117 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.45 99.68 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.36 -43.16 98.46 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.47 -49.63 75.66 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.868 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.16 -46.42 89.74 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -54.79 -44.25 73.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.44 -42.66 98.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.747 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.76 -50.21 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.44 -41.52 89.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.695 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.17 93.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.748 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.4 -42.79 87.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.707 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.41 -45.26 95.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.32 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.25 -42.07 72.98 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.98 -41.39 96.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.843 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -42.74 94.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.692 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.537 ' NZ ' ' CD ' ' A' ' 96' ' ' GLU . 67.7 mttm -61.01 -29.62 69.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.037 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -80.86 -3.98 53.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.386 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.15 14.38 74.78 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.31 80.52 2.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.787 0.327 . . . . 0.0 110.422 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -64.97 -34.54 78.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.599 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.3 80.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.084 0.469 . . . . 0.0 110.777 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.36 -35.49 81.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.388 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -47.26 84.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.55 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.61 -42.29 99.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.85 0.357 . . . . 0.0 110.536 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.75 99.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 93.0 mmm -66.15 -40.47 90.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.493 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.474 ' O ' ' OG ' ' B' ' 44' ' ' SER . 91.6 mtp -62.95 -41.47 99.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.602 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.17 -44.23 97.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.48 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.323 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.0 p -61.79 -46.46 89.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.503 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.31 -42.63 95.95 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.262 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.41 -42.54 98.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.253 0.549 . . . . 0.0 110.654 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.45 92.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.107 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.57 -40.31 92.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.721 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 50.3 t-20 -60.76 -42.82 98.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.31 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.71 -40.12 94.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.221 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.82 75.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.466 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.74 -39.92 90.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.287 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.7 mt -60.42 -44.29 95.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.333 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.36 -42.92 91.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.034 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.405 HE21 HD22 ' B' ' 74' ' ' LEU . 67.5 tp60 -60.55 -44.34 96.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.9 m -56.41 -43.27 79.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.972 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.69 -40.39 92.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.915 0.388 . . . . 0.0 110.514 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.2 mt -68.26 -39.33 82.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.652 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.494 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 97.5 mt -67.85 -39.8 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.735 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -85.23 -11.41 54.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.49 -19.09 36.24 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' B' ' 59' ' ' ILE . 52.7 p-10 -67.45 146.24 54.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.578 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.45 139.64 58.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.386 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.34 -17.44 4.0 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.583 ' C ' ' H ' ' B' ' 67' ' ' LYS . 97.5 mt-10 -68.06 121.45 16.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.741 0.305 . . . . 0.0 110.639 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.43 -37.53 0.27 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.583 ' H ' ' C ' ' B' ' 65' ' ' GLU . 54.0 mtmt -97.8 144.46 27.38 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.613 0.244 . . . . 0.0 110.464 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 7.0 tpp -68.92 153.28 44.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.63 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -74.55 -0.77 18.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.806 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.8 t -100.78 120.55 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.762 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.443 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 90.4 p -127.14 161.22 28.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 15.9 mt -60.44 -42.96 97.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.578 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.61 -47.89 90.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.636 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' B' ' 71' ' ' SER . 98.6 mt -63.85 -40.15 95.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.23 -47.15 93.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.326 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.54 -46.29 87.13 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.301 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.0 95.91 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.879 0.371 . . . . 0.0 110.488 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.15 -41.53 99.28 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.219 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 48.4 tp -57.27 -46.13 83.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.383 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -67.27 -47.06 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.67 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.51 -45.71 93.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.867 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.44 -44.1 97.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.252 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.9 p -63.62 -45.92 88.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.134 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.501 ' HG ' ' N ' ' B' ' 85' ' ' MET . 78.3 p -62.88 -49.83 73.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.529 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.501 ' N ' ' HG ' ' B' ' 84' ' ' SER . 8.2 tpp -57.2 -48.54 78.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.463 -179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.22 -44.09 97.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 0.0 110.132 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.51 83.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.916 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -59.0 -45.53 90.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.253 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.154 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.04 -42.25 97.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.155 0.502 . . . . 0.0 110.072 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 76.3 mt -60.88 -42.4 92.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.222 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 70.4 m -57.32 -46.34 83.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.075 0.464 . . . . 0.0 109.922 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.26 -43.3 98.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.532 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.575 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.9 mt -59.82 -43.69 94.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 90.1 mt -61.56 -42.92 95.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.545 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.531 ' CD ' ' NZ ' ' C' ' 30' ' ' LYS . 82.0 tt0 -60.6 -40.02 90.25 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.12 -41.73 98.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.875 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 69.6 m80 -59.58 -40.2 86.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.806 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' B' ' 102' ' ' LYS . 82.1 tt0 -61.57 -39.7 92.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.111 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.43 -39.43 93.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.109 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.3 mt -63.84 -41.97 97.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.369 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.3 mttt -91.94 142.51 27.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.616 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.377 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.481 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.57 146.17 55.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.641 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' C' ' 6' ' ' GLU . 80.5 tt0 -62.53 -36.68 83.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.372 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' C' ' 3' ' ' GLU . 97.3 mt -36.98 -30.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.4 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' C' ' 6' ' ' GLU . 14.9 pt-20 -64.95 -43.76 91.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 0.0 110.438 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.7 mt-10 -66.96 -34.72 78.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.27 -43.23 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.372 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 81.9 t -60.75 -44.09 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.967 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.6 mtp -58.89 -42.33 89.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.03 -41.54 97.17 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.91 -43.04 99.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.345 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.421 HD13 HG21 ' C' ' 12' ' ' ILE . 91.5 mt -63.42 -44.32 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.65 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.27 -44.18 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.018 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -61.82 -46.43 89.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.816 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 71.2 m -59.95 -44.86 94.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.14 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.78 -42.46 99.68 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.16 -43.34 98.55 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.26 -50.06 74.09 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -59.85 -46.64 88.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -54.62 -44.38 73.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.14 -42.58 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.734 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.02 -49.8 76.52 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.92 -41.4 91.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.53 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.6 93.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.43 90.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.523 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.55 -44.82 96.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.408 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.85 -42.04 75.21 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.01 -41.35 96.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.93 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.25 92.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.842 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . 0.531 ' NZ ' ' CD ' ' B' ' 96' ' ' GLU . 67.6 mttm -61.72 -29.55 70.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.032 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.47 -4.42 53.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.444 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 14.66 73.49 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.53 80.06 2.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.761 0.315 . . . . 0.0 110.309 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -64.56 -34.46 78.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.53 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.4 79.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.108 0.48 . . . . 0.0 110.725 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.57 81.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.382 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.38 -47.41 84.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.505 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.51 -42.61 99.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.575 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.6 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 92.8 mmm -66.33 -40.69 90.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.606 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.476 ' O ' ' OG ' ' C' ' 44' ' ' SER . 91.7 mtp -62.73 -41.64 99.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.678 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.18 -44.24 97.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.49 -41.23 98.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.349 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' SER . . . . . 0.476 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.2 p -61.8 -46.22 90.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.563 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.45 -42.66 96.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.38 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -61.36 -42.6 98.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.33 0.586 . . . . 0.0 110.497 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.66 92.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.34 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.3 -40.57 93.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.721 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 49.3 t-20 -60.97 -42.32 98.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.283 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.76 -40.53 95.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.043 0.449 . . . . 0.0 110.065 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.02 -45.95 75.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.434 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.4 ' NE2' ' CB ' ' D' ' 312' ' ' ASN . 85.0 t60 -60.58 -39.77 89.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.284 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.78 -44.33 96.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.262 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.5 t -66.2 -42.63 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.97 0.415 . . . . 0.0 109.945 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.431 HE21 HD22 ' C' ' 74' ' ' LEU . 67.3 tp60 -60.8 -44.62 96.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.271 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 15.5 m -56.18 -43.19 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.103 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -60.71 -40.13 91.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.905 0.384 . . . . 0.0 110.526 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.44 -39.4 81.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.483 ' O ' ' OD1' ' C' ' 62' ' ' ASP . 97.1 mt -67.74 -39.75 82.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.833 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.596 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 70.9 mm-40 -85.27 -11.51 54.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.445 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.48 -18.65 37.83 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.501 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 53.1 p-10 -67.96 146.25 53.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.869 0.366 . . . . 0.0 110.465 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.24 139.11 58.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.508 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -120.99 -17.4 4.14 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . 0.579 ' C ' ' H ' ' C' ' 67' ' ' LYS . 97.6 mt-10 -67.89 121.62 16.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.801 0.334 . . . . 0.0 110.581 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.08 -37.19 0.25 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.579 ' H ' ' C ' ' C' ' 65' ' ' GLU . 53.9 mtmt -97.82 144.45 27.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.675 0.274 . . . . 0.0 110.525 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 7.0 tpp -69.04 153.34 43.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.596 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -74.74 -0.66 18.87 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 t -100.26 120.31 49.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.685 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.451 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 89.2 p -126.14 163.81 22.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 -178.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.63 -42.16 99.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.722 -177.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 46.4 t -63.73 -48.27 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 130.109 3.364 . . . . 0.0 110.68 -178.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.451 ' H ' ' HG ' ' C' ' 71' ' ' SER . 98.1 mt -65.9 -39.78 90.91 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.015 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.71 -47.81 91.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.265 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -58.11 -46.49 85.48 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.01 95.8 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.92 0.391 . . . . 0.0 110.413 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.06 -41.5 99.47 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.243 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 48.2 tp -57.35 -46.3 83.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.464 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -67.2 -46.55 73.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.776 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.08 -45.54 93.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.831 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -61.79 -43.45 98.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.305 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.5 p -64.24 -45.66 87.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.197 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.516 ' HG ' ' N ' ' C' ' 85' ' ' MET . 78.1 p -62.91 -49.7 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.516 ' N ' ' HG ' ' C' ' 84' ' ' SER . 8.7 tpp -57.38 -48.27 79.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.511 -179.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.5 -43.93 97.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.145 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.35 -48.01 81.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.921 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -58.53 -45.47 88.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.293 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -60.51 -44.83 95.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.956 0.408 . . . . 0.0 110.178 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.85 -42.29 97.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.159 0.504 . . . . 0.0 110.033 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.73 -42.52 92.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.346 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 70.1 m -57.28 -46.13 83.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.014 0.435 . . . . 0.0 109.947 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.63 -43.39 96.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.463 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.577 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 76.5 mt -59.47 -43.86 93.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.457 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 89.9 mt -61.33 -43.03 95.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.624 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.52 -39.74 88.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.773 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 mt -62.31 -41.66 98.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.918 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 70.6 m80 -59.78 -40.28 87.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.725 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.5 tt0 -61.4 -39.7 91.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.106 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.28 -39.28 93.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.223 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.22 -42.09 96.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.365 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.3 mttt -91.53 142.47 27.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.125 -0.94 . . . . 0.0 110.488 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.515 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.805 0.812 . . . . 0.0 108.985 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.81 143.09 36.68 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.29 38.51 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.036 -1.04 . . . . 0.0 109.567 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.15 28.45 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.38 18.88 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.054 -1.029 . . . . 0.0 108.383 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.84 144.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.59 37.02 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.102 0.953 . . . . 0.0 110.13 177.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.25 24.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.77 -4.34 19.46 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.9 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.81 85.81 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 119.668 -1.895 . . . . 0.0 110.558 178.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.44 -47.77 12.62 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 124.75 3.633 . . . . 0.0 114.101 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.528 ' ND2' ' CD2' ' C' ' 52' ' ' HIS . 99.6 m-20 -102.14 27.58 6.54 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 116.024 -2.27 . . . . 0.0 108.766 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.79 -143.85 46.62 Favored Glycine 0 N--CA 1.496 2.689 0 C-N-CA 117.682 -2.199 . . . . 0.0 109.559 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.3 tp -88.98 75.88 7.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.923 -1.34 . . . . 0.0 109.501 -177.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.577 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.8 p80 -69.97 175.87 4.13 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 117.921 -1.511 . . . . 0.0 112.19 -178.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 55.0 p -38.96 -67.04 0.23 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.738 HH21 ' NE2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -56.36 -52.24 74.7 Favored Pre-proline 0 N--CA 1.492 1.656 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.546 -177.369 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.7 Cg_endo -64.33 -32.14 61.77 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 120.668 0.912 . . . . 0.0 111.467 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.84 86.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.255 -0.903 . . . . 0.0 109.448 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.73 72.4 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -63.89 -39.46 94.24 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.981 -1.488 . . . . 0.0 109.479 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.544 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.2 t80 -62.61 -45.32 93.44 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 122.59 1.186 . . . . 0.0 108.711 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.6 t -62.75 -42.22 95.39 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.667 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.78 -40.32 96.4 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.277 -0.889 . . . . 0.0 109.833 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.467 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.69 80.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.423 -0.798 . . . . 0.0 109.591 177.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.93 91.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.599 -1.313 . . . . 0.0 109.477 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.41 -16.09 43.21 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 121.288 -0.883 . . . . 0.0 113.351 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.01 -10.54 86.21 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 119.884 -1.76 . . . . 0.0 109.272 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.403 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.29 32.89 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.26 -1.729 . . . . 0.0 110.088 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.62 -29.99 59.37 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.227 -0.921 . . . . 0.0 112.346 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.57 10.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 119.768 -1.832 . . . . 0.0 112.804 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.22 35.38 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 102.865 -3.013 . . . . 0.0 102.865 171.219 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.75 136.55 60.47 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.405 0 CA-C-O 122.195 0.998 . . . . 0.0 109.303 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.403 HG23 ' N ' ' D' ' 335' ' ' VAL . 94.0 m -124.9 143.28 50.93 Favored 'General case' 0 C--N 1.286 -2.174 0 CA-C-O 123.129 1.442 . . . . 0.0 109.957 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.403 ' N ' HG23 ' D' ' 334' ' ' THR . 85.4 t -108.17 129.97 61.51 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.693 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 69.5 m -127.48 119.59 26.43 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.881 -1.137 . . . . 0.0 108.887 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.62 39.31 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.861 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.7 38.92 24.11 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.87 -1.144 . . . . 0.0 112.761 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.74 11.03 83.44 Favored Glycine 0 N--CA 1.501 3.02 0 O-C-N 119.951 -1.718 . . . . 0.0 112.491 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.89 136.2 54.59 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 105.283 -2.118 . . . . 0.0 105.283 177.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.74 158.47 33.2 Favored 'General case' 0 C--N 1.275 -2.645 0 CA-C-O 123.847 1.784 . . . . 0.0 112.449 -176.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.62 151.4 31.47 Favored 'General case' 0 C--N 1.279 -2.499 0 CA-C-N 112.474 -2.148 . . . . 0.0 108.63 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.662 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.56 136.0 48.95 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 173.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.04 -6.74 47.57 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.73 -1.231 . . . . 0.0 110.723 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.662 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.5 12.99 31.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.678 -1.264 . . . . 0.0 109.396 -177.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 38.4 t -133.12 104.19 6.39 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.203 1.001 . . . . 0.0 110.046 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 63.4 tp -57.33 -37.81 73.11 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.926 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . 0.495 ' C ' ' HZ3' ' C' ' 67' ' ' LYS . 73.0 m-85 -58.88 -51.39 70.24 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.581 -1.325 . . . . 0.0 113.075 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.38 70.44 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.515 -1.991 . . . . 0.0 109.238 -178.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.83 -33.66 75.71 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.966 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.565 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 52.6 tt0 -67.72 -10.45 52.61 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 121.683 -0.636 . . . . 0.0 109.954 -177.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 37.8 p -89.82 -7.63 53.91 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 118.069 -1.452 . . . . 0.0 110.936 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.42 159.3 15.31 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.21 -0.931 . . . . 0.0 110.212 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.78 2.96 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 106.969 -2.452 . . . . 0.0 106.969 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 90.3 mt -119.56 47.45 1.71 Allowed 'General case' 0 C--N 1.309 -1.181 0 O-C-N 120.749 -1.442 . . . . 0.0 107.383 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 58.3 p -81.45 172.51 13.43 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.791 -1.163 . . . . 0.0 109.229 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -60.69 140.87 57.34 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 119.339 -0.944 . . . . 0.0 109.839 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.18 78.92 Favored Glycine 0 N--CA 1.501 3.013 0 C-N-CA 119.976 -1.106 . . . . 0.0 111.316 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.41 135.91 34.08 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 120.918 -1.342 . . . . 0.0 110.656 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.5 123.73 48.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.16 160.13 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.322 0 C-N-CA 117.403 -1.719 . . . . 0.0 110.634 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.401 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.99 128.36 54.88 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 120.501 -1.374 . . . . 0.0 107.598 175.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.82 121.41 60.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 176.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.27 50.71 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -179.524 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.38 47.15 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.759 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.515 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.79 6.43 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 118.55 -1.26 . . . . 0.0 108.009 178.183 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.27 40.15 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 117.989 -2.053 . . . . 0.0 110.347 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.46 -40.48 82.78 Favored 'General case' 0 C--N 1.277 -2.569 0 CA-C-N 114.408 -0.896 . . . . 0.0 112.165 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.06 36.7 3.58 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 115.918 -2.313 . . . . 0.0 108.538 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.39 -33.52 65.84 Favored 'General case' 0 N--CA 1.523 3.18 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 -174.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.48 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.64 27.42 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 119.586 -1.947 . . . . 0.0 110.958 -176.548 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.774 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.71 97.8 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.5 77.6 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.48 -1.688 . . . . 0.0 109.995 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.3 t -66.77 -42.26 89.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.255 1.026 . . . . 0.0 109.268 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.88 -47.89 76.57 Favored 'General case' 0 C--N 1.287 -2.123 0 CA-C-O 122.081 0.943 . . . . 0.0 108.757 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.774 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.74 -38.37 76.8 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.748 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.544 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.8 mt -75.55 -28.66 59.1 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.421 -1.425 . . . . 0.0 110.93 -174.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.51 71.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.85 -49.3 62.89 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.467 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.18 -45.24 83.86 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.536 177.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.36 -37.36 85.36 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.845 -1.159 . . . . 0.0 111.549 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.86 61.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.112 -0.993 . . . . 0.0 110.248 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.91 -32.29 45.65 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.491 -0.756 . . . . 0.0 111.359 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.06 125.52 12.36 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 124.376 2.036 . . . . 0.0 112.843 178.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.9 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.0 mm-40 . . . . . 0 C--N 1.277 -2.554 0 CA-C-N 111.163 -2.744 . . . . 0.0 110.088 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.9 OUTLIER -61.49 -38.03 85.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.537 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 6' ' ' GLU . 80.6 tt0 -60.37 -75.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.972 0.415 . . . . 0.0 110.538 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 3' ' ' GLU . 97.2 mt -38.6 -37.5 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.38 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -63.29 -48.63 77.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.01 0.433 . . . . 0.0 110.31 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 3' ' ' GLU . 96.6 mt-10 -66.95 -37.33 84.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.243 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.93 -43.32 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.01 -44.87 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.947 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -58.74 -41.98 87.73 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.67 -41.54 97.68 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 mt -63.18 -43.36 98.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.187 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.28 -43.98 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.804 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.72 -44.22 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.947 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -61.74 -45.91 91.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.84 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.3 m -60.77 -44.25 97.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.997 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.5 -42.46 97.5 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.738 ' NE2' HH21 ' D' ' 317' ' ' ARG . 91.3 mm-40 -63.63 -45.67 89.18 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.56 80.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.837 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -59.99 -45.94 91.07 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 m -57.1 -43.97 82.78 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.73 -42.18 99.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.693 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.64 -48.66 77.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -59.48 -39.44 83.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.63 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.95 95.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.768 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.26 91.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.595 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.459 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -56.12 -41.51 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.1 -41.03 97.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.74 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.39 97.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.71 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.48 -29.1 69.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.02 -3.75 49.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.483 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.79 14.58 67.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.7 79.37 2.23 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.785 0.326 . . . . 0.0 110.259 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -65.2 -34.26 77.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.663 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.5 78.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.055 0.455 . . . . 0.0 110.745 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -35.4 80.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.52 84.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.556 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.51 -41.62 98.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.634 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.25 93.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.793 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.3 mmm -65.24 -40.74 94.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.516 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.17 -41.63 99.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.628 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -63.0 -44.8 95.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.022 0.439 . . . . 0.0 110.546 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -63.68 -41.48 98.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.246 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -61.5 -45.18 95.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.589 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -60.85 -43.1 98.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.257 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.9 -43.93 97.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.145 0.498 . . . . 0.0 110.526 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.71 98.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.17 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' CD2' ' HG ' ' A' ' 84' ' ' SER . 12.0 mt -65.6 -39.63 91.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.667 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -59.99 -43.84 94.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.245 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.17 -38.49 90.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.236 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.4 80.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.48 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -63.57 -37.5 87.56 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.441 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.97 -41.94 97.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.376 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.07 -43.37 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.045 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -60.45 -42.06 95.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.29 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.0 m -56.84 -44.21 81.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.041 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.98 -39.6 95.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.917 0.389 . . . . 0.0 110.53 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.09 -30.61 71.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.693 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.4 HD11 HG21 ' A' ' 59' ' ' ILE . 96.5 mt -83.17 -34.54 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.861 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -77.17 -31.4 55.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.32 163.76 0.49 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -83.95 -87.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.53 146.22 54.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.522 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.08 -13.07 75.31 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -71.43 115.22 10.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.664 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.35 23.03 78.15 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -57.96 133.04 55.14 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.691 0.281 . . . . 0.0 110.457 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mtt -105.06 136.96 43.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.632 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' HZ2' HG22 ' A' ' 70' ' ' VAL . 65.4 tttm -79.39 -78.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.402 HG22 ' HZ2' ' A' ' 69' ' ' LYS . 54.0 t -109.7 130.46 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.714 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.597 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 84.0 p -129.65 162.56 28.03 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.25 -44.99 84.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.9 t -63.6 -47.41 91.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.514 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.597 ' H ' ' HG ' ' A' ' 71' ' ' SER . 91.8 mt -62.95 -40.33 97.33 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.043 0.449 . . . . 0.0 110.911 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.91 -47.35 89.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.145 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -58.93 -44.61 91.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.804 0.335 . . . . 0.0 110.364 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.08 89.89 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.668 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.24 -41.52 99.09 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.067 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.79 -46.53 84.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.421 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.411 ' O ' ' OG1' ' A' ' 83' ' ' THR . 68.6 m80 -67.74 -48.46 66.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.43 ' O ' ' OG ' ' A' ' 84' ' ' SER . 14.7 mt -61.83 -44.97 95.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.808 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -60.6 -44.64 96.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.185 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 80' ' ' HIS . 21.3 p -61.8 -43.99 97.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.07 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.49 ' HG ' ' CD2' ' A' ' 48' ' ' LEU . 78.1 p -62.81 -48.52 78.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.515 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.436 ' CE ' HH12 ' B' ' 19' ' ' ARG . 54.0 ttp -58.05 -47.77 82.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.523 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.22 -45.0 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.032 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.17 -45.36 91.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.806 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -58.31 -47.14 84.65 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.075 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 99.1 mt-10 -61.52 -43.53 98.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.024 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.95 -43.76 91.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.172 0.511 . . . . 0.0 109.852 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 75.9 mt -60.96 -42.54 93.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.272 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -57.64 -45.52 85.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.05 0.452 . . . . 0.0 109.902 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.417 ' OE1' ' CD1' ' B' ' 94' ' ' LEU . 98.2 mt-10 -63.69 -42.75 97.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.563 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.508 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 77.6 mt -59.95 -43.7 94.84 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.431 HD11 HG23 ' A' ' 95' ' ' ILE . 88.7 mt -60.84 -42.95 94.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.505 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.56 -40.21 90.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.134 0.492 . . . . 0.0 109.763 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.45 -41.39 98.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.901 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 63.3 m80 -58.61 -41.0 84.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.9 -39.06 84.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.19 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.7 -35.22 80.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.278 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.44 -7.53 59.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.7 tptp 67.05 21.52 10.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.511 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.543 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.601 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 0.9 OUTLIER -61.55 -37.85 85.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 -179.793 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' B' ' 6' ' ' GLU . 80.5 tt0 -60.52 -75.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.437 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' B' ' 3' ' ' GLU . 98.1 mt -38.31 -37.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.423 -179.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -63.42 -48.72 76.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.902 0.382 . . . . 0.0 110.285 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' B' ' 3' ' ' GLU . 96.6 mt-10 -66.61 -37.35 84.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.159 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.16 -43.12 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.324 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.26 -44.71 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.868 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.08 -41.88 89.07 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.41 -41.8 97.91 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.2 mt -63.08 -43.34 98.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.746 0.308 . . . . 0.0 110.357 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.408 HD11 HG22 ' B' ' 12' ' ' ILE . 95.8 mt -63.31 -44.15 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.719 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.63 -44.01 98.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.892 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.91 -46.09 90.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.822 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -60.63 -44.28 96.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.055 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.36 -42.28 97.77 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.87 -45.78 87.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.96 -48.75 79.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.9 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 69.9 ttt180 -60.02 -45.95 91.11 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.8 m -56.97 -44.04 82.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.51 -42.76 99.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.783 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.64 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.51 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 21.9 m-85 -59.64 -39.36 84.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.693 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.16 96.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.719 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.65 -43.45 89.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.635 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.62 -44.71 96.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.34 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -55.97 -41.62 75.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.86 -41.3 97.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.836 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.75 96.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.712 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.37 -29.05 69.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.086 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.14 -3.73 50.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.39 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.71 14.68 67.26 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -99.66 79.06 2.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.781 0.324 . . . . 0.0 110.299 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -65.22 -33.91 77.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.57 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.79 76.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.052 0.454 . . . . 0.0 110.808 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.19 -35.21 80.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.422 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.54 84.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.507 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 110.575 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.48 92.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.666 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 97.4 mmm -65.3 -40.55 93.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.12 -42.15 99.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.553 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -62.63 -44.96 94.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.45 -41.72 98.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.27 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -61.37 -45.45 94.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -60.53 -43.1 97.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 110.33 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.82 -43.91 97.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.313 0.578 . . . . 0.0 110.643 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.58 98.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.236 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.483 ' CD2' ' HG ' ' B' ' 84' ' ' SER . 11.8 mt -65.7 -39.46 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.695 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' B' ' 49' ' ' ASN . 51.4 t-20 -60.02 -44.07 94.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.312 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.9 -38.83 92.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.153 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.52 82.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.455 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -63.61 -37.73 88.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.326 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.4 mt -60.76 -42.06 96.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.0 -43.45 97.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.101 0.477 . . . . 0.0 110.035 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -60.52 -41.94 95.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.267 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.4 m -56.98 -44.25 82.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.931 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.94 -39.69 95.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.859 0.361 . . . . 0.0 110.546 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.0 -30.71 71.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.643 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -82.96 -34.75 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.786 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -77.12 -31.24 55.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.523 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.27 163.62 0.47 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -83.74 -87.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.359 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.05 146.52 54.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.389 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.25 -13.43 73.97 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -71.2 115.37 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.63 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.43 22.96 78.12 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -57.89 133.23 55.27 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.543 0.211 . . . . 0.0 110.451 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 66.2 mtt -105.33 137.32 43.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.643 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -80.03 -77.95 0.18 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.882 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 68.1 t -110.63 129.91 64.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.802 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.582 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 89.8 p -129.03 164.43 23.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.568 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.97 -44.42 94.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.524 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.89 -46.75 95.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.655 -178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.582 ' H ' ' HG ' ' B' ' 71' ' ' SER . 92.7 mt -63.39 -40.01 96.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.7 t -58.97 -47.04 91.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.308 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -58.97 -45.13 91.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.26 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.16 91.06 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.903 0.382 . . . . 0.0 110.421 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -63.09 -41.64 99.45 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.204 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.84 -46.73 84.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.415 ' O ' ' OG1' ' B' ' 83' ' ' THR . 69.3 m80 -67.38 -48.58 67.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.743 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.411 ' O ' ' OG ' ' B' ' 84' ' ' SER . 14.7 mt -61.88 -44.97 95.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -60.54 -44.63 95.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.238 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 80' ' ' HIS . 20.6 p -61.69 -44.12 97.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' SER . . . . . 0.483 ' HG ' ' CD2' ' B' ' 48' ' ' LEU . 78.2 p -62.87 -48.56 78.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' MET . . . . . 0.423 ' CE ' HH12 ' C' ' 19' ' ' ARG . 53.6 ttp -57.89 -47.79 81.75 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.525 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.34 -44.54 97.01 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.096 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.62 90.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.839 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -58.29 -46.91 85.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.228 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 99.1 mt-10 -61.74 -43.74 98.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.166 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.76 -43.58 92.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.103 0.477 . . . . 0.0 109.982 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.02 -42.6 93.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.161 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.44 -45.64 84.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.068 0.461 . . . . 0.0 109.871 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . 0.41 ' OE1' ' CD1' ' C' ' 94' ' ' LEU . 98.6 mt-10 -63.92 -42.59 97.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.472 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.485 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 77.9 mt -59.85 -43.82 94.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.429 HD11 HG23 ' B' ' 95' ' ' ILE . 89.3 mt -60.76 -43.17 94.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.502 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.31 -40.2 89.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.78 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.39 -41.65 98.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.833 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 63.6 m80 -58.4 -40.81 83.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.762 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.19 -38.76 84.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.043 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.22 -35.0 79.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.198 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.0 mt -83.39 -7.72 59.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.442 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 16.0 tptp 67.2 21.33 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.571 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.921 -1.037 . . . . 0.0 110.551 -179.88 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.595 ' CD ' ' H ' ' C' ' 2' ' ' GLU . 0.8 OUTLIER -61.4 -38.02 85.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.76 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' C' ' 6' ' ' GLU . 81.1 tt0 -60.4 -75.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.389 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' C' ' 3' ' ' GLU . 98.0 mt -38.45 -37.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.43 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -63.3 -48.63 77.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 110.456 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' C' ' 3' ' ' GLU . 96.8 mt-10 -66.99 -36.76 82.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.331 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.44 -43.11 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.354 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.31 -44.69 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.006 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.6 mtp -59.2 -42.15 90.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.12 -41.91 98.25 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 30.6 mt -62.75 -43.69 98.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.364 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.419 HG22 HD11 ' C' ' 12' ' ' ILE . 95.6 mt -63.15 -44.06 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.7 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.52 -44.19 98.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.006 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.83 -45.87 91.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.856 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 66.4 m -60.67 -44.3 96.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.161 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.48 -42.25 97.62 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -63.7 -45.62 89.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.81 79.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 70.5 ttt180 -60.06 -45.55 92.47 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 64.9 m -57.46 -44.08 84.51 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.37 -42.39 99.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.675 178.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.55 -48.68 76.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.518 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.1 m-85 -59.52 -39.26 83.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.555 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.75 96.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.721 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.11 92.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.578 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.8 -45.03 95.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.364 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -55.7 -41.94 74.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.939 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.69 96.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.824 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.49 -29.24 69.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.048 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -79.61 -4.17 50.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.29 14.32 66.59 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.56 79.21 2.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.78 0.324 . . . . 0.0 110.283 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.31 -33.97 77.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.483 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.44 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 110.697 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.26 80.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.373 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.04 86.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.455 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.98 -41.9 99.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.521 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.28 94.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.75 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 97.5 mmm -65.2 -40.98 94.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 3.4 mmt -63.06 -41.84 99.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.597 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -63.05 -44.78 94.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.399 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -63.45 -42.01 98.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -61.01 -45.58 94.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -60.45 -43.08 97.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.872 0.367 . . . . 0.0 110.34 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.72 -44.26 96.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.366 0.603 . . . . 0.0 110.494 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.21 -43.79 98.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.334 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.493 ' CD2' ' HG ' ' C' ' 84' ' ' SER . 11.8 mt -65.61 -39.85 91.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.77 -43.84 94.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.387 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.15 -39.07 92.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.03 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.77 82.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.465 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.528 ' CD2' ' ND2' ' D' ' 312' ' ' ASN . 29.2 t-80 -63.48 -37.64 88.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.29 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.03 -41.86 97.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.336 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -63.88 -43.44 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.044 0.449 . . . . 0.0 109.957 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -60.62 -42.16 96.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.264 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 76.5 m -56.52 -44.4 80.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.129 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -63.1 -39.32 94.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.501 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.88 -30.97 71.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.97 -34.44 11.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.838 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.565 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 69.3 mm-40 -77.39 -31.4 54.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.44 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.62 163.87 0.57 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -84.28 -87.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.331 . . . . 0.0 110.526 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.84 146.1 54.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.509 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.1 -13.37 74.53 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -71.05 115.5 10.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 110.56 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.52 22.63 78.33 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . 0.495 ' HZ3' ' C ' ' D' ' 348' ' ' PHE . 60.8 pttt -57.52 133.08 54.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.597 0.237 . . . . 0.0 110.552 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 66.2 mtt -105.49 137.11 43.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.569 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -79.6 -78.38 0.16 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 66.5 t -110.19 129.62 64.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.802 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.571 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 89.7 p -127.99 166.66 17.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.523 -178.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.6 -43.61 98.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.689 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.14 -47.29 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 130.061 3.344 . . . . 0.0 110.636 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.571 ' H ' ' HG ' ' C' ' 71' ' ' SER . 97.1 mt -65.28 -39.73 92.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 177.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.23 -47.45 90.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.186 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -59.2 -45.1 91.96 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.278 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.89 91.85 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.814 0.34 . . . . 0.0 110.393 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.47 -41.27 98.61 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.27 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.12 -46.73 85.1 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.547 -179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.41 ' O ' ' OG1' ' C' ' 83' ' ' THR . 69.5 m80 -67.57 -48.17 67.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.738 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . 0.433 ' O ' ' OG ' ' C' ' 84' ' ' SER . 14.7 mt -62.12 -45.01 95.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.848 -178.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -60.56 -44.53 96.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.361 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 83' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' C' ' 80' ' ' HIS . 21.8 p -61.83 -43.9 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.15 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 84' ' ' SER . . . . . 0.493 ' HG ' ' CD2' ' C' ' 48' ' ' LEU . 77.7 p -63.11 -48.21 79.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.552 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 54.6 ttp -58.1 -48.14 81.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.705 0.288 . . . . 0.0 110.479 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.98 -44.89 96.72 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.131 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.1 88.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.935 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -57.86 -47.27 83.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.262 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.21 -43.61 98.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.903 0.383 . . . . 0.0 110.179 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.12 -43.63 91.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 0.0 110.024 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . 0.404 HD11 HG21 ' C' ' 91' ' ' ILE . 75.6 mt -60.86 -42.61 93.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.347 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.41 -45.67 84.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.092 0.472 . . . . 0.0 109.982 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.86 -42.81 97.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.497 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.475 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 78.6 mt -59.59 -43.83 93.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.405 HG23 HD11 ' C' ' 95' ' ' ILE . 88.5 mt -60.73 -43.12 94.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.561 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -39.92 89.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.709 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.49 -41.57 98.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.857 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.475 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.1 m80 -58.5 -41.32 85.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -59.72 -38.89 82.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.86 -35.16 80.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.224 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 87.8 mt -83.57 -7.76 59.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.267 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 16.0 tptp 67.51 21.24 9.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.533 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.518 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.512 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.71 0 CA-C-O 121.873 0.844 . . . . 0.0 108.898 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.79 142.97 36.68 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.26 38.52 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.968 -1.083 . . . . 0.0 109.528 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.1 149.19 28.54 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.27 19.02 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.999 -1.063 . . . . 0.0 108.392 178.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.29 19.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 107.499 -1.296 . . . . 0.0 107.499 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.5 m -96.64 136.55 37.01 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.164 0.983 . . . . 0.0 110.192 177.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.94 114.31 24.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.86 -4.33 19.34 Favored 'General case' 0 C--N 1.265 -3.085 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.908 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.85 85.85 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 119.765 -1.834 . . . . 0.0 110.661 178.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.49 -47.67 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.725 3.617 . . . . 0.0 114.172 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -102.17 27.57 6.56 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 116.066 -2.254 . . . . 0.0 108.787 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 71.11 -93.73 0.52 Allowed Glycine 0 N--CA 1.496 2.655 0 C-N-CA 117.674 -2.203 . . . . 0.0 109.617 -175.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . 0.526 ' CD1' ' O ' ' D' ' 314' ' ' LEU . 0.8 OUTLIER -169.99 59.14 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.904 -1.351 . . . . 0.0 109.524 179.82 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.556 ' CE1' ' OG1' ' D' ' 316' ' ' THR . 3.1 p80 -52.69 -171.56 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 117.856 -1.538 . . . . 0.0 112.09 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.556 ' OG1' ' CE1' ' D' ' 315' ' ' HIS . 44.9 p -31.23 -65.95 0.12 Allowed 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -176.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.526 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -45.21 -65.79 0.59 Allowed Pre-proline 0 N--CA 1.492 1.674 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.581 -176.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.67 -32.18 57.94 Favored 'Trans proline' 0 N--CA 1.484 0.963 0 C-N-CA 121.259 1.306 . . . . 0.0 111.514 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.88 86.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.196 -0.94 . . . . 0.0 109.471 -179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.8 72.56 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -64.0 -39.31 93.82 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.964 -1.494 . . . . 0.0 109.459 177.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.55 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.41 92.96 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.598 1.19 . . . . 0.0 108.698 -177.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.6 -42.2 95.04 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.281 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.694 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -63.89 -40.28 96.14 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 109.708 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.462 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.84 80.2 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.453 -0.779 . . . . 0.0 109.564 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.94 91.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.599 -1.313 . . . . 0.0 109.482 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.38 -16.25 44.51 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.53 86.11 Favored Glycine 0 N--CA 1.479 1.551 0 O-C-N 119.956 -1.715 . . . . 0.0 109.246 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.405 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.5 143.32 32.88 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.275 -1.721 . . . . 0.0 110.023 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.62 -30.06 59.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.254 -0.903 . . . . 0.0 112.315 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.57 10.08 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 119.723 -1.861 . . . . 0.0 112.826 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.3 35.43 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 102.798 -3.038 . . . . 0.0 102.798 171.268 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.74 136.56 60.44 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.448 0 CA-C-O 122.215 1.007 . . . . 0.0 109.287 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.407 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.6 m -124.95 143.12 51.04 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-O 123.092 1.425 . . . . 0.0 110.025 178.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.407 ' N ' HG23 ' D' ' 334' ' ' THR . 86.3 t -108.0 130.01 61.19 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.718 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 69.8 m -127.52 119.47 26.11 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.844 -1.16 . . . . 0.0 108.944 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.5 122.61 39.32 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.534 -0.729 . . . . 0.0 109.918 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.7 38.92 24.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.936 -1.103 . . . . 0.0 112.798 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.67 11.07 83.46 Favored Glycine 0 N--CA 1.501 3.006 0 O-C-N 119.913 -1.742 . . . . 0.0 112.57 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.9 m -124.75 158.55 33.02 Favored 'General case' 0 C--N 1.275 -2.651 0 CA-C-O 123.83 1.776 . . . . 0.0 112.388 -176.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.5 31.56 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.45 -2.159 . . . . 0.0 108.569 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.666 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.7 135.95 48.66 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 173.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.92 -6.81 47.7 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.724 -1.235 . . . . 0.0 110.72 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.666 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.7 mttt -97.52 12.93 31.71 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.627 -1.296 . . . . 0.0 109.393 -177.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.0 t -133.04 104.12 6.37 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 122.178 0.99 . . . . 0.0 110.145 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.19 -37.96 72.93 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.982 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -58.83 -51.37 70.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.61 -1.306 . . . . 0.0 113.126 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . 0.549 ' NZ ' ' OE2' ' C' ' 65' ' ' GLU . 37.6 tptt -70.05 -32.46 70.58 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 119.498 -2.001 . . . . 0.0 109.193 -178.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.77 -33.7 75.7 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.939 -1.105 . . . . 0.0 109.965 -177.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.603 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 44.4 tp60 -67.71 -10.49 52.96 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.646 -0.659 . . . . 0.0 109.87 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.5 p -89.69 -7.8 53.79 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 118.188 -1.405 . . . . 0.0 110.961 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . 0.52 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 96.2 mt -93.26 159.35 15.31 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.157 -0.964 . . . . 0.0 110.153 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.74 104.84 2.97 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 177.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 74.3 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.135 0 O-C-N 120.638 -1.507 . . . . 0.0 107.335 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 58.2 p -81.41 172.51 13.46 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.246 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.68 140.85 57.33 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.817 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.49 -3.18 78.72 Favored Glycine 0 N--CA 1.501 3.025 0 C-N-CA 120.043 -1.075 . . . . 0.0 111.344 177.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.46 136.0 34.02 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.888 -1.36 . . . . 0.0 110.594 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.61 123.72 49.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 176.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.18 160.11 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.338 0 C-N-CA 117.412 -1.715 . . . . 0.0 110.622 178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 89.7 m -108.91 128.39 54.89 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.487 -1.383 . . . . 0.0 107.567 175.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.86 121.49 60.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 176.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.407 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.2 50.71 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.608 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.48 47.23 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.478 -1.289 . . . . 0.0 109.753 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.25 110.79 6.41 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 118.524 -1.271 . . . . 0.0 108.031 178.205 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.25 -170.33 40.16 Favored Glycine 0 C--N 1.296 -1.65 0 C-N-CA 117.963 -2.065 . . . . 0.0 110.319 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.29 -40.66 82.54 Favored 'General case' 0 C--N 1.276 -2.605 0 CA-C-N 114.327 -0.936 . . . . 0.0 112.239 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.08 36.84 3.53 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 115.894 -2.322 . . . . 0.0 108.625 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.36 -33.62 65.85 Favored 'General case' 0 N--CA 1.521 3.086 0 N-CA-C 116.82 2.155 . . . . 0.0 116.82 -174.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.471 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.61 27.76 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 119.621 -1.924 . . . . 0.0 110.984 -176.539 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.773 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.55 -40.68 97.62 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.43 77.86 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.452 -1.699 . . . . 0.0 110.058 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.7 t -66.81 -42.26 88.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-O 122.216 1.008 . . . . 0.0 109.314 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.91 -47.9 76.63 Favored 'General case' 0 C--N 1.286 -2.191 0 CA-C-O 122.059 0.933 . . . . 0.0 108.724 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.773 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.77 -38.32 76.68 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.707 -178.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.5 mt -75.61 -28.64 58.95 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.371 -1.456 . . . . 0.0 110.919 -174.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.5 71.41 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.42 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.82 -49.39 62.51 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.462 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.17 -45.18 83.89 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.552 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.39 -37.37 85.5 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.871 -1.143 . . . . 0.0 111.547 -177.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.84 61.66 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.122 -0.986 . . . . 0.0 110.227 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.88 -32.29 45.84 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.455 -0.778 . . . . 0.0 111.328 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.13 125.5 12.43 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 124.388 2.042 . . . . 0.0 112.853 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.908 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 32.0 tt0 . . . . . 0 C--N 1.278 -2.514 0 CA-C-N 111.094 -2.775 . . . . 0.0 110.151 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -88.72 -76.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.502 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 6' ' ' GLU . 47.9 tp10 -63.17 138.17 58.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.438 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 3' ' ' GLU . 65.5 mt -39.25 -36.57 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.408 -179.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.73 -49.42 75.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.254 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.5 mt-10 -65.79 -36.22 82.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.274 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.73 -43.05 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.339 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.05 -45.83 97.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.985 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.0 -42.22 89.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.02 -41.41 99.88 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.6 mt -63.6 -43.21 97.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.901 0.382 . . . . 0.0 110.243 179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.01 -44.65 99.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.755 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.08 -44.63 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.967 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -45.73 92.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.743 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.5 m -59.92 -44.29 94.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.003 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.526 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.12 -42.64 99.45 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.77 -44.55 93.07 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.91 -49.28 77.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -61.02 -45.23 95.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.9 t -56.2 -44.5 79.53 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.48 -41.0 96.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.721 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.82 -47.68 81.95 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -59.51 -42.07 91.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.639 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.79 89.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.745 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.85 89.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.675 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.7 -44.79 96.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.491 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.21 -42.73 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.2 -41.27 92.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.818 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.25 93.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.7 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.21 -30.08 70.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.15 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.38 -3.86 51.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.415 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.36 13.07 79.51 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -95.49 81.24 3.53 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.248 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -64.92 -34.41 78.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.65 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.94 81.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.057 0.456 . . . . 0.0 110.735 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.58 80.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.348 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -48.29 79.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.586 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.38 -43.95 96.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.684 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.81 99.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.7 mmm -65.46 -42.32 92.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.517 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.8 mtm -63.84 -41.1 97.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.633 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.28 -45.54 92.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 0.0 110.531 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.96 -41.5 97.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.2 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.3 m -60.52 -45.67 92.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.56 -42.53 96.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.85 -43.12 98.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.238 0.542 . . . . 0.0 110.605 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.76 99.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.213 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.6 mt -64.75 -40.77 95.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.691 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -60.63 -41.9 95.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.248 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.1 -39.88 93.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.228 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.65 -43.75 83.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.476 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.29 -37.71 88.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.19 -43.56 98.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.309 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.84 -44.03 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.033 0.444 . . . . 0.0 110.019 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -60.78 -43.25 98.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.269 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -59.83 -41.93 92.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.015 0.436 . . . . 0.0 110.025 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.18 -34.51 73.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.513 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' ASP . 90.4 mt -71.65 -60.07 2.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.735 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.0 mt -56.39 -36.75 48.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.858 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -74.02 -31.35 62.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.96 -10.86 60.86 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 58' ' ' LEU . 96.5 m-20 -92.73 -25.06 18.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 110.619 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.39 91.05 3.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.33 176.16 41.61 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -70.3 117.27 11.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.352 . . . . 0.0 110.633 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.57 -0.31 81.73 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -103.09 147.1 27.41 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.756 0.313 . . . . 0.0 110.437 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.3 mmm -76.22 139.25 41.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.563 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -87.74 -4.76 58.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -99.11 116.15 41.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.678 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.8 p -129.92 162.16 29.24 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.4 mt -57.09 -45.74 83.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.672 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.06 -47.83 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 120.896 0.379 . . . . 0.0 110.548 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.22 -40.93 98.87 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.26 -47.18 91.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.155 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.16 -44.74 92.13 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.313 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.46 89.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.609 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.3 -41.45 98.96 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.169 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.4 tp -57.79 -45.93 85.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.425 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -67.06 -46.83 73.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.713 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.67 -45.52 93.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.854 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.43 -43.48 98.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.242 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.9 p -64.15 -47.15 81.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.128 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.43 -49.12 76.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -58.05 -47.4 83.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.566 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.29 -45.36 93.63 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.103 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.4 85.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.856 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -58.16 -45.28 87.74 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.132 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.584 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 96.1 mt-10 -62.41 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.042 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.88 -42.74 94.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.178 0.513 . . . . 0.0 109.863 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.61 -41.94 89.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.0 m -58.12 -45.55 87.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.018 0.437 . . . . 0.0 109.917 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.91 -43.71 98.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.542 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.559 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 81.0 mt -59.45 -43.34 93.2 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.94 -42.87 96.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.547 179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.543 ' OE2' ' NZ ' ' B' ' 30' ' ' LYS . 81.1 tt0 -61.59 -38.76 88.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 mt -61.79 -41.46 97.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.862 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.559 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.4 m80 -59.58 -38.12 80.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 102' ' ' LYS . 81.2 tt0 -62.24 -40.61 96.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.204 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -64.39 -38.94 92.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.244 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.96 -41.8 97.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.431 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 99' ' ' GLU . 64.5 mttp -92.62 142.2 27.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.516 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.616 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -88.53 -76.79 0.38 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' B' ' 6' ' ' GLU . 48.2 tp10 -63.09 138.05 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.44 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' B' ' 3' ' ' GLU . 65.1 mt -39.14 -36.64 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.468 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.9 -49.21 75.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 110.33 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.4 mt-10 -65.64 -36.44 83.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.218 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.6 -42.92 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 73.2 t -61.25 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.851 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.22 -41.97 89.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.06 -41.91 99.72 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.23 -43.02 99.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.409 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.46 -44.53 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.732 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.13 -44.34 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.92 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -45.95 91.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.811 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.1 m -59.73 -44.3 93.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.141 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -42.53 99.34 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -63.47 -44.92 93.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.28 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.879 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.584 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 68.8 ttt180 -61.07 -45.34 95.13 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.1 t -56.14 -44.12 78.91 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.62 -41.52 97.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.733 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.55 -47.73 81.23 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.3 m-85 -59.22 -42.3 90.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.663 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.61 88.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.738 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.62 91.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.658 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.93 -44.85 95.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.333 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -55.08 -43.1 73.6 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -59.87 -41.25 91.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.933 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.12 93.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.75 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OE2' ' A' ' 96' ' ' GLU . 67.8 mttm -61.12 -30.27 70.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.02 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -80.15 -4.09 51.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.42 13.12 79.3 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.49 81.2 3.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 110.293 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -65.03 -34.55 78.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.603 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.44 -47.95 81.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.97 0.415 . . . . 0.0 110.753 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.77 81.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.434 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -48.17 79.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.526 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.47 -44.26 96.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.76 99.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.68 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.5 mmm -65.66 -42.32 91.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.613 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 74.1 mtm -63.73 -41.26 98.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.549 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -62.11 -45.7 92.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.444 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.81 -41.68 97.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.272 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -60.33 -45.87 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.441 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -60.49 -42.45 96.35 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.327 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.81 -42.93 98.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.267 0.556 . . . . 0.0 110.657 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.05 99.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.186 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.38 -40.67 93.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.77 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -60.78 -41.62 95.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.299 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.23 -40.26 93.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.156 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.13 85.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.391 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.99 -38.15 90.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.288 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.75 -43.83 97.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.332 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.65 -43.6 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.049 0.452 . . . . 0.0 110.012 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -61.27 -43.06 99.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.187 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.5 m -60.17 -41.87 93.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.959 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.31 -34.22 73.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.906 0.384 . . . . 0.0 110.553 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' B' ' 62' ' ' ASP . 90.0 mt -71.9 -60.08 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.703 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 69.4 mt -56.28 -36.97 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.764 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -74.06 -31.03 62.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.489 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.93 -10.76 61.0 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' B' ' 58' ' ' LEU . 97.5 m-20 -93.16 -25.04 18.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.513 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.59 91.23 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.355 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.34 176.21 41.64 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.26 117.71 12.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.719 0.295 . . . . 0.0 110.63 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.45 -0.25 81.42 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -103.06 147.6 26.77 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.649 0.261 . . . . 0.0 110.471 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.4 mmm -76.66 140.01 40.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.636 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -88.52 -4.14 58.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -100.59 115.89 42.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 14.9 p -129.41 164.24 24.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.548 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.6 mt -59.78 -45.25 92.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.57 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 67.3 t -63.49 -46.83 94.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.646 -178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 98.5 mt -63.84 -40.13 95.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.97 -47.51 91.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.268 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.19 -44.71 92.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.341 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.16 -43.55 91.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.896 0.379 . . . . 0.0 110.41 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.5 -41.56 98.53 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.241 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 46.3 tp -57.65 -45.87 84.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.35 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -66.88 -47.22 72.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.786 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.38 -45.48 94.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -62.46 -43.39 98.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.188 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 21.7 p -64.36 -46.85 81.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.149 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -62.65 -49.36 75.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.59 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -57.82 -47.56 82.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.528 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.85 -45.96 91.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.151 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.5 85.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.86 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -57.87 -45.54 86.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.262 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.7 mt-10 -62.04 -43.19 99.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.198 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.62 -42.57 95.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.066 0.46 . . . . 0.0 110.034 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 77.7 mt -60.77 -42.14 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.217 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.7 m -58.0 -45.5 86.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.028 0.442 . . . . 0.0 109.869 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.14 -43.37 98.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.515 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.552 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 81.6 mt -59.53 -43.64 93.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.81 -42.72 95.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.536 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.526 ' OE2' ' NZ ' ' C' ' 30' ' ' LYS . 80.1 tt0 -61.52 -39.4 90.88 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.38 -41.18 96.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.83 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.7 m80 -59.75 -38.32 81.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' B' ' 102' ' ' LYS . 81.4 tt0 -62.23 -40.47 96.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.105 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -64.6 -38.76 92.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.201 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 40.6 mt -64.02 -41.81 97.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.407 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' B' ' 99' ' ' GLU . 64.5 mttp -92.73 141.5 28.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.564 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -88.47 -76.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.588 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' C' ' 6' ' ' GLU . 47.3 tp10 -63.28 138.49 58.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.359 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' C' ' 3' ' ' GLU . 65.5 mt -39.35 -36.7 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.408 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.73 -49.79 73.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.8 mt-10 -65.29 -36.13 83.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.25 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.83 -42.9 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 74.8 t -61.21 -45.55 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.021 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.36 -41.88 90.27 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.35 -41.55 99.41 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 32.5 mt -63.43 -43.15 98.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.851 0.358 . . . . 0.0 110.352 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.21 -44.68 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.71 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.77 -44.5 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.042 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -45.6 93.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.852 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 m -59.89 -44.22 94.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.202 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.54 -42.3 98.93 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -63.58 -44.79 93.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.78 -49.51 76.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.574 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 69.0 ttt180 -61.05 -45.21 95.67 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 40.1 t -56.23 -44.21 79.38 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.62 -41.61 97.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.696 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.78 80.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.0 m-85 -59.29 -42.41 91.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.523 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.55 89.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.722 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.59 90.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.6 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -62.02 -44.73 96.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.41 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -55.16 -42.94 73.76 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -60.15 -41.07 91.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.939 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.1 93.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.788 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . 0.526 ' NZ ' ' OE2' ' B' ' 96' ' ' GLU . 68.0 mttm -61.28 -30.07 70.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.064 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -80.11 -4.01 51.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.467 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.24 13.2 79.42 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -95.73 81.25 3.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.758 0.313 . . . . 0.0 110.202 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -64.98 -34.48 78.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.578 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.95 81.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.018 0.437 . . . . 0.0 110.695 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.8 -35.82 81.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.344 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.25 -48.23 79.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.515 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.42 -44.17 96.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.634 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.88 99.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.8 mmm -65.56 -42.19 92.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.405 ' SD ' ' CD1' ' C' ' 95' ' ' ILE . 74.2 mtm -64.02 -41.26 97.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.606 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.09 -45.64 92.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.396 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.76 -41.72 97.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.288 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -60.27 -45.77 92.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.531 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.71 -42.33 97.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.364 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.61 -43.54 97.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.282 0.563 . . . . 0.0 110.563 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.51 99.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.313 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.28 -40.59 94.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.721 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -60.95 -41.29 96.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.347 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.41 -40.31 93.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.033 0.444 . . . . 0.0 110.028 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.9 85.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.486 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.05 -38.15 90.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.261 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.11 -43.78 98.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.286 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 66.2 t -65.14 -44.27 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.062 0.458 . . . . 0.0 110.016 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -60.67 -43.65 97.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.188 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.6 m -59.57 -41.98 91.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.136 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.32 -34.12 73.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.912 0.387 . . . . 0.0 110.526 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' C' ' 62' ' ' ASP . 90.3 mt -71.84 -59.97 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.819 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 69.1 mt -56.34 -36.88 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.825 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.603 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 70.1 mm-40 -74.07 -31.09 62.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.43 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.06 -10.59 61.0 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' C' ' 58' ' ' LEU . 97.3 m-20 -93.13 -25.05 18.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.894 0.378 . . . . 0.0 110.5 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.54 91.19 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.465 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.44 176.02 41.31 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . 0.549 ' OE2' ' NZ ' ' D' ' 349' ' ' LYS . 97.7 mt-10 -70.16 117.15 11.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.326 . . . . 0.0 110.622 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.91 -0.3 83.11 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -103.02 147.37 27.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.617 0.246 . . . . 0.0 110.592 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 98.2 mmm -76.51 140.05 41.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.624 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -88.58 -4.23 58.63 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -100.11 115.63 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.702 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 14.2 p -128.3 166.5 18.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.562 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.38 -44.53 97.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.666 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.77 -47.33 89.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 130.068 3.347 . . . . 0.0 110.641 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -65.65 -40.2 92.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.027 0.441 . . . . 0.0 110.94 177.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 55.7 t -59.97 -47.87 90.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.2 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -59.43 -44.73 92.83 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.329 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.18 92.21 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.92 0.39 . . . . 0.0 110.474 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.79 -41.49 97.93 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.272 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 46.0 tp -57.58 -46.24 84.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.46 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -66.58 -47.17 73.61 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.737 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.59 -45.47 93.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.809 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.37 -43.24 99.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.31 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 21.7 p -64.54 -46.79 81.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.166 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.76 -49.13 76.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.539 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.83 -47.86 81.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.632 0.253 . . . . 0.0 110.499 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.93 -45.63 92.86 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.18 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.22 -47.61 84.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.946 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -57.76 -45.87 85.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.221 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.51 -43.56 98.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.199 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.5 -42.74 95.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.471 . . . . 0.0 109.981 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . 0.421 HD12 HG23 ' C' ' 91' ' ' ILE . 77.9 mt -60.43 -42.33 90.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.384 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 91.0 m -57.54 -45.92 84.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.09 0.471 . . . . 0.0 109.966 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.93 -43.43 98.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.457 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.553 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.6 mt -59.42 -43.42 93.05 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.405 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 90.0 mt -62.01 -42.94 96.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.557 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.04 -39.3 89.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.076 0.465 . . . . 0.0 109.765 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.46 -41.53 97.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.88 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.553 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.4 m80 -59.54 -38.11 80.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.705 179.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.4 tt0 -62.49 -40.46 96.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.133 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -64.42 -39.0 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.189 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.89 -41.91 97.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.367 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' C' ' 99' ' ' GLU . 64.4 mttp -92.46 141.9 28.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.513 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.493 -179.873 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.514 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 121.886 0.85 . . . . 0.0 108.978 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.453 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.76 143.07 36.78 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.497 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.33 38.55 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.96 -1.087 . . . . 0.0 109.531 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.22 149.14 28.4 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.92 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.001 -1.062 . . . . 0.0 108.371 178.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.88 144.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.76 136.55 37.15 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 122.202 1.001 . . . . 0.0 110.082 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.83 114.25 24.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.87 -4.3 19.36 Favored 'General case' 0 C--N 1.265 -3.104 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.9 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.45 141.88 86.02 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.65 -1.906 . . . . 0.0 110.628 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.56 -47.67 13.03 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 124.759 3.639 . . . . 0.0 114.188 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.511 HD22 ' CD2' ' D' ' 315' ' ' HIS . 22.7 p30 -102.15 27.54 6.57 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 116.048 -2.261 . . . . 0.0 108.754 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.16 -145.61 44.0 Favored Glycine 0 N--CA 1.496 2.67 0 C-N-CA 117.677 -2.202 . . . . 0.0 109.605 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.0 tp -88.42 79.7 7.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.932 -1.334 . . . . 0.0 109.562 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.511 ' CD2' HD22 ' D' ' 312' ' ' ASN . 2.7 p80 -76.32 177.32 7.38 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 117.834 -1.547 . . . . 0.0 112.118 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 77.7 p -36.32 -69.43 0.11 Allowed 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 117.291 2.33 . . . . 0.0 117.291 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.408 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 6.9 tmm_? -56.49 -52.32 74.2 Favored Pre-proline 0 N--CA 1.493 1.69 0 C-N-CA 120.071 -0.651 . . . . 0.0 112.542 -176.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.21 -32.17 62.99 Favored 'Trans proline' 0 C--N 1.318 -1.066 0 CA-C-N 119.503 0.858 . . . . 0.0 111.557 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.05 -38.76 86.39 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.481 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.74 72.56 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.97 -39.36 93.96 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 118.003 -1.479 . . . . 0.0 109.485 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.544 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.71 -45.3 93.36 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 122.63 1.205 . . . . 0.0 108.705 -177.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.68 -42.18 95.1 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.668 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.86 -40.24 96.08 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.311 -0.868 . . . . 0.0 109.819 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.8 -39.72 79.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.418 -0.801 . . . . 0.0 109.571 177.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.93 92.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.611 -1.306 . . . . 0.0 109.463 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.27 -16.29 44.0 Favored 'General case' 0 N--CA 1.511 2.595 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.58 86.07 Favored Glycine 0 N--CA 1.479 1.505 0 O-C-N 119.91 -1.744 . . . . 0.0 109.317 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.403 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.4 32.76 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.377 -1.66 . . . . 0.0 110.034 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.3 p -75.59 -30.14 59.52 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.188 -0.945 . . . . 0.0 112.316 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.76 158.5 10.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 119.772 -1.83 . . . . 0.0 112.836 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.582 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.88 130.21 35.4 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 102.87 -3.011 . . . . 0.0 102.87 171.228 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.69 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-O 122.171 0.986 . . . . 0.0 109.358 -178.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.9 143.21 50.97 Favored 'General case' 0 C--N 1.284 -2.239 0 CA-C-O 123.027 1.394 . . . . 0.0 110.013 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . . . . . . . . . 85.7 t -108.17 129.94 61.58 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.762 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 69.7 m -127.46 119.58 26.43 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.858 -1.151 . . . . 0.0 108.927 -178.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.59 122.61 39.27 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.847 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.77 38.98 24.53 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.88 -1.138 . . . . 0.0 112.698 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.05 83.58 Favored Glycine 0 N--CA 1.501 3.012 0 O-C-N 119.963 -1.711 . . . . 0.0 112.558 177.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.85 136.26 54.56 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.72 158.57 32.92 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-O 123.751 1.739 . . . . 0.0 112.449 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.41 31.34 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 112.512 -2.131 . . . . 0.0 108.566 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.658 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.0 t -70.6 136.0 48.88 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 173.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.0 -6.84 48.14 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.656 -1.277 . . . . 0.0 110.704 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.658 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.45 12.93 31.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.591 -1.318 . . . . 0.0 109.361 -177.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.9 t -133.01 104.18 6.41 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.16 0.981 . . . . 0.0 110.153 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.29 -37.84 73.05 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.967 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -58.94 -51.42 70.13 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.603 -1.311 . . . . 0.0 113.02 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -69.99 -32.42 70.61 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 119.543 -1.973 . . . . 0.0 109.239 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.82 -33.72 75.81 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 118.926 -1.11 . . . . 0.0 109.982 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.475 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 59.9 tt0 -67.7 -10.44 52.38 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.598 -0.688 . . . . 0.0 109.893 -177.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.6 p -89.76 -7.69 53.89 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 118.097 -1.441 . . . . 0.0 110.973 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.44 159.3 15.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.204 -0.935 . . . . 0.0 110.132 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.77 2.96 Favored Glycine 0 N--CA 1.484 1.881 0 N-CA-C 107.003 -2.439 . . . . 0.0 107.003 177.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.56 47.51 1.7 Allowed 'General case' 0 C--N 1.309 -1.154 0 O-C-N 120.657 -1.496 . . . . 0.0 107.421 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 57.9 p -81.56 172.45 13.45 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.174 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -60.61 140.91 57.22 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.294 -0.962 . . . . 0.0 109.889 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.45 -3.25 78.95 Favored Glycine 0 N--CA 1.501 3.028 0 C-N-CA 119.97 -1.109 . . . . 0.0 111.34 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.43 135.93 34.06 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.894 -1.356 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.53 123.7 48.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.19 160.11 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.325 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.634 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 91.3 m -108.95 128.44 54.94 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.536 -1.353 . . . . 0.0 107.587 175.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.9 121.47 60.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 176.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.404 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.27 50.72 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.592 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.17 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 118.498 -1.281 . . . . 0.0 109.784 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.87 6.46 Favored 'General case' 0 C--N 1.289 -2.037 0 C-N-CA 118.541 -1.264 . . . . 0.0 108.001 178.183 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.32 40.11 Favored Glycine 0 C--N 1.296 -1.679 0 C-N-CA 118.049 -2.025 . . . . 0.0 110.341 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.37 -40.57 82.62 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 114.369 -0.916 . . . . 0.0 112.186 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.1 36.8 3.55 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 115.902 -2.319 . . . . 0.0 108.59 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.54 65.86 Favored 'General case' 0 N--CA 1.521 3.105 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 -174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.46 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.6 27.8 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 119.63 -1.919 . . . . 0.0 111.016 -176.626 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.782 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.62 -40.6 97.32 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.48 77.68 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 117.412 -1.715 . . . . 0.0 110.01 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.84 -42.22 88.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 CA-C-O 122.231 1.015 . . . . 0.0 109.244 -178.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.8 -47.98 76.18 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-O 122.042 0.925 . . . . 0.0 108.751 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.782 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.73 -38.42 76.87 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.705 -178.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.544 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.59 -28.6 59.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.372 -1.455 . . . . 0.0 110.872 -174.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.52 71.46 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.2 63.29 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.34 -45.19 84.55 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 119.024 -1.071 . . . . 0.0 110.486 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.39 -37.38 85.54 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.886 -1.134 . . . . 0.0 111.529 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.81 61.7 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.055 -1.028 . . . . 0.0 110.323 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.33 45.84 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.479 -0.763 . . . . 0.0 111.325 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 125.54 12.5 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 124.331 2.015 . . . . 0.0 112.845 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.9 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.0 mt-10 . . . . . 0 C--N 1.277 -2.554 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.104 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.46 ' OE1' ' OE1' ' A' ' 6' ' ' GLU . 79.4 mm-40 -63.17 138.55 58.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.551 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 6' ' ' GLU . 79.7 mm-40 -60.74 129.56 42.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.458 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' GLU . 97.2 mt -38.37 -34.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.462 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -64.53 -47.47 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 0.0 110.265 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 3' ' ' GLU . 80.7 tt0 -66.97 -36.76 82.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.262 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.28 -42.28 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.405 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.85 -45.65 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.965 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.4 mtp -58.5 -42.36 87.47 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.31 -42.62 97.71 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.0 mt -63.12 -43.27 98.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 0.0 110.24 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.432 ' O ' ' OG ' ' A' ' 15' ' ' SER . 92.6 mt -63.1 -44.84 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.754 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.406 HG21 HD12 ' A' ' 13' ' ' ILE . 88.5 mt -63.06 -44.03 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.992 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -60.49 -45.89 92.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.848 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 12' ' ' ILE . 78.9 p -59.96 -43.97 94.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.943 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.54 -41.84 99.07 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.51 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.9 mm-40 -62.7 -43.27 99.22 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.64 80.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.824 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -61.06 -46.49 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.51 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.3 p -56.28 -43.29 78.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.04 -41.56 98.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.654 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.03 -48.14 79.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.11 -41.51 92.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.673 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.76 97.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.755 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.33 87.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.677 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.14 -44.89 96.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.474 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -55.35 -42.83 74.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -60.6 -41.47 94.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.781 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.68 94.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.727 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.61 -29.22 69.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.134 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -80.02 -4.34 52.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.02 12.56 76.55 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.01 80.05 3.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.75 0.31 . . . . 0.0 110.3 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -64.49 -34.84 79.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.645 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -47.73 81.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.051 0.453 . . . . 0.0 110.692 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.92 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.383 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.32 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.534 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.24 -43.62 98.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.629 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.39 99.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.32 -41.02 94.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.47 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.464 ' O ' ' OG ' ' A' ' 44' ' ' SER . 4.8 mmt -62.69 -41.07 98.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.56 -43.85 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.975 0.417 . . . . 0.0 110.531 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.77 -41.5 97.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.24 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.27 -45.74 93.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.566 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.92 -42.61 98.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.329 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.79 -43.08 99.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.223 0.535 . . . . 0.0 110.51 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.61 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.272 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.535 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 91.0 mt -65.57 -40.03 92.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.68 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -61.07 -41.98 97.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.252 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.47 -39.71 92.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.266 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.8 -43.46 83.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.51 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -64.26 -37.36 87.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.367 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.74 -43.1 99.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.304 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.16 -43.01 97.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.052 0.453 . . . . 0.0 110.001 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -61.16 -41.12 96.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.186 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.4 m -56.51 -44.5 80.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.953 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.7 -39.68 94.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.527 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.28 -30.7 71.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.719 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.87 -33.8 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.84 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -82.17 -8.95 59.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.527 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.74 165.85 36.56 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.85 139.16 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 110.556 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.76 140.5 53.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.535 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.74 -177.59 52.02 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.67 118.44 12.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.81 0.338 . . . . 0.0 110.685 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.69 -3.94 78.72 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.43 136.53 38.44 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.701 0.286 . . . . 0.0 110.492 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtt -99.78 -94.52 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.568 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -108.98 -30.41 8.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.914 0.388 . . . . 0.0 110.912 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.43 150.2 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.72 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.453 ' HG ' ' H ' ' A' ' 74' ' ' LEU . 86.2 p -129.48 163.71 25.29 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.9 mt -57.51 -44.39 85.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.667 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.3 t -63.0 -46.95 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.551 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.453 ' H ' ' HG ' ' A' ' 71' ' ' SER . 91.9 mt -62.82 -40.89 98.8 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -178.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.19 -47.56 91.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.235 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -58.79 -47.1 85.93 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.302 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.02 -43.19 96.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.5 HE22 ' CE1' ' B' ' 80' ' ' HIS . 58.8 tt0 -63.18 -41.64 99.24 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.106 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 41.6 tp -57.0 -47.02 81.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.34 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -66.84 -46.92 73.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.755 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.65 -45.29 93.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.83 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.0 -44.6 96.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.195 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.4 p -63.46 -46.55 85.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.12 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.75 -48.0 81.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.421 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -59.03 -48.88 80.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.512 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.4 -45.22 95.24 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.098 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.08 83.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.871 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.535 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 7.9 tmm_? -58.96 -45.05 91.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.134 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.12 -46.69 87.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.109 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.93 -42.68 94.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.126 0.488 . . . . 0.0 109.883 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.21 -42.07 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.23 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -57.86 -45.22 86.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.047 0.451 . . . . 0.0 109.854 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.32 -42.19 99.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.631 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.498 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.5 mt -59.98 -42.83 95.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.421 HG23 HD12 ' A' ' 95' ' ' ILE . 92.1 mt -61.33 -42.97 95.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.495 179.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.47 -38.85 85.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.7 mt -62.42 -40.76 97.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.875 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.498 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.8 m80 -59.42 -41.09 88.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -58.8 -40.47 84.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.183 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.9 -33.67 75.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.194 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.27 -8.28 59.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.6 tttp 72.24 15.28 5.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.514 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.547 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.461 ' OE1' ' OE1' ' B' ' 6' ' ' GLU . 79.5 mm-40 -63.52 138.2 58.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.602 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.4 mm-40 -60.13 129.54 42.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.499 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' B' ' 3' ' ' GLU . 97.0 mt -38.19 -34.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -64.46 -47.35 79.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.414 . . . . 0.0 110.385 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.3 tt0 -67.03 -36.8 82.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.211 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -64.24 -42.57 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.318 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 67.7 t -60.58 -45.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.88 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -58.94 -42.15 89.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.57 -42.65 97.31 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -63.0 -43.28 99.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.771 0.32 . . . . 0.0 110.312 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.439 ' O ' ' OG ' ' B' ' 15' ' ' SER . 92.6 mt -63.29 -44.93 99.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.661 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.78 -44.31 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.905 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -60.35 -45.86 91.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.799 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' B' ' 12' ' ' ILE . 78.0 p -59.88 -44.29 94.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.06 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.34 -41.65 99.4 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.506 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.9 mm-40 -62.78 -43.41 98.86 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.7 -48.23 81.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.942 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -61.14 -46.51 90.24 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.506 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.2 p -56.52 -43.01 79.38 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.12 -41.76 98.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.693 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.23 78.86 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -60.16 -41.35 92.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.7 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.07 96.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.667 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.01 -44.04 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.627 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.21 -45.32 95.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.345 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -55.18 -42.73 73.57 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.51 -41.82 95.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.906 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.97 93.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.742 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.31 -29.62 69.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.071 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.91 -4.49 52.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.432 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.44 12.11 76.36 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -95.82 79.99 3.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.336 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -64.43 -34.93 79.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.28 80.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 110.798 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.28 80.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.39 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.38 -48.17 79.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.596 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.33 -43.62 98.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.51 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.29 99.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.7 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.37 -41.31 93.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.507 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.448 ' O ' ' OG ' ' B' ' 44' ' ' SER . 4.8 mmt -62.32 -41.4 98.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.629 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.45 -44.0 97.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.42 -41.59 98.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.28 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.3 p -61.36 -46.06 91.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -60.52 -42.57 96.73 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.316 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.85 -43.07 99.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.331 0.586 . . . . 0.0 110.646 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.28 98.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.151 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.536 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 90.2 mt -65.82 -40.25 91.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.736 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -61.03 -41.87 97.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.295 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.4 -40.04 92.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.17 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.19 85.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.482 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -64.37 -37.64 88.23 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.247 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.2 mt -61.41 -43.43 98.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.351 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.86 -43.46 97.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.043 0.449 . . . . 0.0 109.972 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.52 -41.32 94.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.312 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.7 m -56.66 -44.26 81.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.926 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.85 -39.55 94.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.881 0.372 . . . . 0.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.3 -30.8 71.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.69 -33.83 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.8 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -82.33 -8.76 59.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.521 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.65 165.38 36.96 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.67 138.63 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.525 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.3 141.04 54.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.42 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.11 -177.82 52.07 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.52 118.44 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.56 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.94 -4.28 78.21 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -97.88 137.73 36.29 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.617 0.246 . . . . 0.0 110.506 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtt -101.09 -94.07 0.28 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.694 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -109.25 -30.3 8.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.971 0.415 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 p -129.0 149.71 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.786 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' SER . . . . . 0.416 ' HG ' ' H ' ' B' ' 74' ' ' LEU . 91.0 p -128.99 165.14 21.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.587 -178.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.74 -44.05 93.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.592 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 52.2 t -62.31 -46.26 96.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.545 -178.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . 0.416 ' H ' ' HG ' ' B' ' 71' ' ' SER . 92.1 mt -63.14 -40.36 97.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -178.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 59.7 t -60.44 -48.31 88.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.25 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.32 -46.86 85.38 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.325 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.87 96.42 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.87 0.367 . . . . 0.0 110.439 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.508 HE22 ' CE1' ' C' ' 80' ' ' HIS . 59.0 tt0 -63.45 -41.74 98.64 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.29 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 42.3 tp -56.97 -46.86 81.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.402 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.5 ' CE1' HE22 ' A' ' 78' ' ' GLN . 75.6 m80 -66.9 -47.07 72.93 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.751 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.74 -45.17 93.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -62.04 -44.6 96.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.268 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.6 p -63.2 -46.36 87.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.169 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -62.81 -48.34 79.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.2 ttp -58.81 -48.92 79.62 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.511 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.29 -45.64 93.63 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.168 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.36 81.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.874 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.536 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 8.0 tmm_? -58.55 -45.48 88.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.282 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.67 -46.44 89.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.169 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.35 -42.2 93.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.169 0.509 . . . . 0.0 110.065 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.79 -41.97 90.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.221 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.7 -45.71 85.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.068 0.461 . . . . 0.0 109.901 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.83 -42.23 98.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.534 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 15.0 mt -60.06 -42.83 95.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.32 -42.95 95.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.504 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.36 -39.1 86.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.32 -40.75 97.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.823 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.9 m80 -59.34 -41.28 88.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.54 -40.59 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.042 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.02 -33.47 75.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.188 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 50.0 mt -82.23 -8.42 59.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.398 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 38.8 tttp 72.42 14.59 5.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.555 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.4 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.562 179.938 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . 0.473 ' OE1' ' OE1' ' C' ' 6' ' ' GLU . 79.6 mm-40 -63.96 138.19 58.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.637 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.3 mm-40 -59.87 129.71 43.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.388 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' C' ' 3' ' ' GLU . 98.0 mt -38.43 -35.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.432 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.2 -47.79 78.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 110.332 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.473 ' OE1' ' OE1' ' C' ' 2' ' ' GLU . 81.4 tt0 -66.71 -36.79 83.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.33 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.07 -42.42 95.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.296 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.93 -45.26 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.987 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.9 mtp -58.96 -42.1 89.07 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.5 97.43 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 36.9 mt -63.25 -43.21 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.391 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.439 ' O ' ' OG ' ' C' ' 15' ' ' SER . 93.2 mt -63.34 -44.56 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.742 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.81 -44.49 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.011 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -60.42 -45.8 92.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.853 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' C' ' 12' ' ' ILE . 78.7 p -59.79 -44.0 94.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.195 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.59 -41.72 99.05 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . 0.502 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -62.89 -42.81 99.91 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.5 -48.04 83.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -61.51 -46.45 89.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.5 p -56.24 -43.42 78.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 74.3 mt -61.99 -41.52 98.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.685 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.14 79.36 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -60.16 -41.53 92.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.557 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.76 97.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.67 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -43.84 87.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.584 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.64 -44.82 96.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.425 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -55.7 -42.34 75.09 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.93 -41.46 96.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.88 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.74 94.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.833 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.64 -29.36 70.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.009 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -79.91 -4.58 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.447 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.33 12.87 75.01 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.28 79.93 3.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.73 0.3 . . . . 0.0 110.298 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -64.48 -34.93 79.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.556 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.24 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.091 0.472 . . . . 0.0 110.634 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.06 82.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.378 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.93 -48.12 80.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.53 -43.53 98.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.607 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.36 99.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.45 -41.27 93.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.46 ' O ' ' OG ' ' C' ' 44' ' ' SER . 4.8 mmt -62.3 -41.3 98.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.614 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.51 -44.06 97.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.479 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.22 -41.85 99.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.341 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.8 p -61.14 -46.07 92.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.5 -42.6 96.67 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.318 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.88 -42.95 99.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.298 0.571 . . . . 0.0 110.556 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.65 99.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.327 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.53 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 91.1 mt -65.67 -40.45 92.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . 0.4 ' C ' ' OD1' ' C' ' 49' ' ' ASN . 52.6 t-20 -60.86 -42.11 97.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.97 -40.31 94.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.03 0.443 . . . . 0.0 110.06 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.77 84.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.456 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -63.96 -37.45 87.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.28 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.76 -43.14 99.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.329 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.83 -43.47 97.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 0.0 109.981 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -60.75 -41.12 94.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.326 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 78.1 m -56.6 -44.29 80.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.104 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.89 -39.4 94.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.502 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.41 -30.54 71.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.755 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.98 -33.71 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.475 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.1 mm-40 -82.31 -8.93 59.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.472 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.51 165.81 35.7 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.8 138.72 58.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.835 0.35 . . . . 0.0 110.513 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.34 140.74 54.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.477 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.01 -177.97 52.18 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -69.26 118.78 12.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.737 0.303 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.36 -3.99 79.93 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.21 137.55 36.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.653 0.263 . . . . 0.0 110.546 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtt -101.22 -93.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.553 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -109.58 -30.47 7.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.71 149.09 33.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.759 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 71' ' ' SER . . . . . 0.427 ' HG ' ' H ' ' C' ' 74' ' ' LEU . 92.8 p -127.4 167.63 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.557 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.71 -43.1 99.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.658 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 49.7 t -63.6 -46.41 94.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 130.069 3.348 . . . . 0.0 110.597 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' C' ' 71' ' ' SER . 93.4 mt -65.47 -40.06 92.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.077 0.465 . . . . 0.0 110.977 177.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.58 -48.47 88.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.239 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.67 -47.0 85.97 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.34 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.29 -42.93 96.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.835 0.35 . . . . 0.0 110.362 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.47 -41.09 98.6 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.266 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 42.4 tp -57.69 -46.76 83.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.513 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . 0.508 ' CE1' HE22 ' B' ' 78' ' ' GLN . 75.5 m80 -66.93 -47.0 73.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.84 -45.25 93.47 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.85 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.83 -44.4 96.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.432 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.5 p -63.6 -46.56 85.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.208 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 79.3 p -62.61 -48.0 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.588 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -58.86 -49.23 78.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.479 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.27 -45.23 95.36 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.155 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.71 -48.15 82.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.975 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.53 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 8.0 tmm_? -58.71 -45.48 89.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.221 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.46 -46.61 89.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.201 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.34 -42.34 93.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.155 0.502 . . . . 0.0 110.013 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 67.8 mt -60.44 -42.13 89.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.378 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.6 m -57.71 -45.55 85.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.081 0.467 . . . . 0.0 110.028 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.99 -42.26 98.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.472 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.533 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.8 mt -59.97 -42.87 95.07 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.422 HD12 HG23 ' C' ' 95' ' ' ILE . 92.8 mt -61.28 -42.85 95.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.545 179.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -60.3 -39.23 86.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.717 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.06 -40.79 96.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.926 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 72.1 m80 -59.5 -41.31 89.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.695 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.72 -40.13 82.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.027 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.3 -33.33 75.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.173 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 48.7 mt -82.42 -9.14 59.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.236 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 38.9 tttp 73.39 14.47 4.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.428 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.543 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.514 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 121.852 0.834 . . . . 0.0 109.03 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.75 142.97 36.75 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.96 156.31 38.64 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.046 -1.034 . . . . 0.0 109.643 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.21 28.5 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.27 152.32 18.99 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.076 -1.015 . . . . 0.0 108.332 178.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.56 37.08 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.113 0.958 . . . . 0.0 110.138 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.86 114.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.84 -4.34 19.37 Favored 'General case' 0 C--N 1.264 -3.116 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.897 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.84 85.83 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 119.65 -1.906 . . . . 0.0 110.628 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -45.58 -47.59 13.18 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 124.783 3.656 . . . . 0.0 114.121 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . 0.55 HD22 ' CE ' ' C' ' 85' ' ' MET . 98.6 m-20 -102.12 27.45 6.63 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 116.178 -2.209 . . . . 0.0 108.787 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.39 -142.53 46.81 Favored Glycine 0 N--CA 1.497 2.722 0 C-N-CA 117.671 -2.204 . . . . 0.0 109.591 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.9 tp -88.77 75.84 8.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.952 -1.323 . . . . 0.0 109.495 -177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.571 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.8 p80 -69.8 176.31 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 117.861 -1.536 . . . . 0.0 112.133 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.543 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.4 p -39.47 -67.19 0.23 Allowed 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 117.196 2.295 . . . . 0.0 117.196 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.543 ' N ' ' OG1' ' D' ' 316' ' ' THR . 7.8 tmm_? -57.24 -51.61 80.43 Favored Pre-proline 0 N--CA 1.493 1.692 0 C-N-CA 120.176 -0.61 . . . . 0.0 112.494 -177.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.9 Cg_endo -64.27 -32.19 62.3 Favored 'Trans proline' 0 C--N 1.317 -1.104 0 C-N-CA 120.568 0.845 . . . . 0.0 111.477 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.83 86.67 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.252 -0.905 . . . . 0.0 109.489 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.87 -39.79 72.68 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.89 -39.44 94.19 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 117.987 -1.485 . . . . 0.0 109.533 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.546 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.31 93.36 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.526 1.155 . . . . 0.0 108.643 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.7 -42.25 95.4 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.319 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.611 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . 0.492 ' NZ ' ' CD1' ' A' ' 13' ' ' ILE . 97.1 mttt -63.88 -40.25 96.1 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.174 -0.954 . . . . 0.0 109.8 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.457 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.79 80.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.424 -0.798 . . . . 0.0 109.555 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.0 -44.0 91.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.559 -1.338 . . . . 0.0 109.454 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.27 -16.22 43.27 Favored 'General case' 0 N--CA 1.511 2.576 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.67 86.01 Favored Glycine 0 N--CA 1.479 1.502 0 O-C-N 119.838 -1.789 . . . . 0.0 109.299 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -103.44 143.37 32.79 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.224 -1.751 . . . . 0.0 109.979 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.61 -30.11 59.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.278 -0.889 . . . . 0.0 112.302 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.83 158.51 10.42 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.716 -1.865 . . . . 0.0 112.827 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.581 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.81 130.22 35.47 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 102.84 -3.022 . . . . 0.0 102.84 171.251 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.71 136.59 60.38 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-O 122.23 1.014 . . . . 0.0 109.313 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.412 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.7 m -124.9 143.13 51.01 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-O 123.065 1.412 . . . . 0.0 110.024 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.412 ' N ' HG23 ' D' ' 334' ' ' THR . 87.1 t -108.03 129.91 61.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.717 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 173.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.408 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.48 119.58 26.4 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.731 -1.231 . . . . 0.0 108.972 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.54 122.59 39.26 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.495 -0.753 . . . . 0.0 109.918 177.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.71 39.0 24.38 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.888 -1.133 . . . . 0.0 112.823 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.62 11.03 83.57 Favored Glycine 0 N--CA 1.502 3.085 0 O-C-N 119.942 -1.724 . . . . 0.0 112.492 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.9 136.21 54.59 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.69 158.53 32.98 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-O 123.738 1.732 . . . . 0.0 112.468 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.69 151.4 31.4 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 112.579 -2.101 . . . . 0.0 108.634 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.666 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 7.9 t -70.61 136.0 48.85 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -73.01 -6.81 47.94 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.685 -1.259 . . . . 0.0 110.668 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.666 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.49 12.97 31.53 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.665 -1.272 . . . . 0.0 109.381 -177.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 98.8 p -133.1 104.19 6.39 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 122.253 1.025 . . . . 0.0 110.183 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . 0.465 ' CD2' ' NZ ' ' C' ' 69' ' ' LYS . 53.9 tp -57.29 -37.86 73.08 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.934 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -58.85 -51.36 70.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.56 -1.337 . . . . 0.0 113.117 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.02 -32.5 70.69 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 119.625 -1.922 . . . . 0.0 109.232 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.68 -33.8 75.8 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.974 -177.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.534 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 67.0 tp60 -67.65 -10.47 52.54 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.641 -0.662 . . . . 0.0 109.929 -177.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 352' ' ' THR . . . . . 0.461 ' C ' ' OE1' ' C' ' 60' ' ' GLU . 36.1 p -89.8 -7.69 53.79 Favored 'General case' 0 N--CA 1.502 2.157 0 C-N-CA 118.091 -1.444 . . . . 0.0 110.94 -178.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . 0.423 ' O ' ' CD ' ' C' ' 60' ' ' GLU . 97.4 mt -93.36 159.3 15.32 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.227 -0.921 . . . . 0.0 110.159 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.85 2.97 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 106.9 -2.48 . . . . 0.0 106.9 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.4 mt -119.62 47.37 1.73 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.708 -1.466 . . . . 0.0 107.425 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 2.7 p -81.37 172.56 13.41 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.226 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -60.75 140.91 57.4 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.28 -0.968 . . . . 0.0 109.9 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.04 78.91 Favored Glycine 0 N--CA 1.501 2.995 0 C-N-CA 120.069 -1.063 . . . . 0.0 111.338 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.5 135.92 34.03 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.881 -1.364 . . . . 0.0 110.581 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.4 t -96.5 123.78 48.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.6 m -112.23 160.0 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.277 0 C-N-CA 117.422 -1.711 . . . . 0.0 110.693 178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 362' ' ' THR . . . . . 0.408 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.87 128.38 54.86 Favored 'General case' 0 C--O 1.214 -0.816 0 O-C-N 120.55 -1.344 . . . . 0.0 107.594 175.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.89 121.42 60.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.24 50.71 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 -179.569 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.4 47.19 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 118.557 -1.257 . . . . 0.0 109.82 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.514 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.73 6.4 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 118.577 -1.249 . . . . 0.0 108.051 178.219 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.27 40.15 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 118.018 -2.039 . . . . 0.0 110.357 178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.37 -40.58 82.69 Favored 'General case' 0 C--N 1.276 -2.63 0 CA-C-N 114.399 -0.901 . . . . 0.0 112.262 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -114.03 36.78 3.54 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 115.853 -2.339 . . . . 0.0 108.612 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.51 65.82 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.492 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.9 -45.63 27.32 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 119.567 -1.958 . . . . 0.0 110.966 -176.586 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.773 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.54 -40.68 97.64 Favored 'General case' 0 C--N 1.283 -2.295 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.46 77.79 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 117.449 -1.7 . . . . 0.0 110.038 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.4 t -66.89 -42.24 88.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.242 1.02 . . . . 0.0 109.237 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.88 -47.91 76.54 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 121.992 0.901 . . . . 0.0 108.701 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.773 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.76 -38.29 76.71 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.769 -178.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.4 mt -75.6 -28.62 58.95 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.346 -1.471 . . . . 0.0 110.865 -174.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.45 70.58 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.394 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.19 63.43 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.457 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.3 -45.22 84.37 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.029 -1.069 . . . . 0.0 110.501 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.37 -37.39 85.53 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.933 -1.104 . . . . 0.0 111.472 -177.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.84 61.7 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.124 -0.985 . . . . 0.0 110.254 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.9 -32.2 45.65 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.521 -0.737 . . . . 0.0 111.362 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.15 125.51 12.48 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.354 2.026 . . . . 0.0 112.852 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.897 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.0 mm-40 . . . . . 0 C--N 1.277 -2.553 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.13 -177.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -57.67 -36.26 71.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.481 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.8 mt-10 -58.58 -76.23 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.414 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 3' ' ' GLU . 95.8 mt -37.91 -38.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.431 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -65.07 -47.22 78.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.882 0.372 . . . . 0.0 110.268 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 3' ' ' GLU . 80.0 tt0 -67.54 -36.8 81.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.2 t -64.07 -42.01 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.422 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.39 -44.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.929 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.9 mtp -59.49 -41.08 89.01 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.32 -41.69 98.07 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.16 -43.05 99.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.879 0.371 . . . . 0.0 110.247 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.5 ' CG2' ' HG1' ' D' ' 316' ' ' THR . 94.3 mt -63.17 -43.99 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.492 ' CD1' ' NZ ' ' D' ' 324' ' ' LYS . 86.8 mt -63.48 -44.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.944 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -61.43 -45.68 93.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.722 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -60.38 -43.8 96.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.018 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.37 -42.17 97.8 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.502 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.7 mm-40 -64.17 -42.81 96.56 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.69 -48.88 79.6 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -61.18 -47.39 86.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.8 p -54.32 -44.78 72.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.02 -42.66 99.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.706 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.25 74.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.34 -42.35 91.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.564 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.11 93.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.738 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.47 -42.54 87.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.618 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.34 -45.18 95.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.459 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.712 ' HZ2' HE21 ' A' ' 31' ' ' GLN . 66.1 tttm -55.91 -42.21 75.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.65 -41.69 95.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.774 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.72 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.715 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.15 -29.24 69.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.124 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.712 HE21 ' HZ2' ' A' ' 27' ' ' LYS . 88.3 mt-30 -79.52 -4.51 51.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.389 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 12.51 76.39 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -96.04 79.79 3.25 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.73 0.3 . . . . 0.0 110.299 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -64.25 -35.0 79.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.711 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.82 -48.53 78.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.068 0.461 . . . . 0.0 110.69 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.21 -35.06 79.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.321 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.39 -48.02 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.515 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -42.27 98.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.347 . . . . 0.0 110.651 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.3 -42.34 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.77 -40.66 92.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.5 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.439 ' SD ' ' CD1' ' A' ' 95' ' ' ILE . 92.5 mmm -63.32 -41.12 98.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.645 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.84 -43.97 97.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.581 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.68 -40.91 97.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.205 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -61.25 -46.56 89.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.53 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -60.37 -42.05 95.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.265 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtt -61.78 -42.1 98.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.238 0.542 . . . . 0.0 110.624 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.56 98.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.16 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 99.4 mt -65.22 -39.92 93.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.647 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.04 -41.6 96.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.839 0.352 . . . . 0.0 110.312 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -64.9 -40.63 95.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.157 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.61 82.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.429 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.27 -38.22 88.5 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.394 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.6 -42.78 99.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.343 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.57 -43.72 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.043 0.449 . . . . 0.0 110.018 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -60.33 -42.13 94.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.4 m -56.89 -43.34 81.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.119 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -62.99 -39.38 94.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.572 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.74 -29.75 70.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.641 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.9 -31.65 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -83.06 -9.24 59.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.465 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.46 162.6 51.95 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.09 138.96 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 0.0 110.535 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.07 142.24 54.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.26 -172.44 49.06 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.66 117.87 10.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.693 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.34 -0.54 81.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -100.4 137.84 38.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.669 0.271 . . . . 0.0 110.475 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.44 ' SD ' ' OE2' ' B' ' 5' ' ' GLU . 64.6 ttp -110.66 -86.37 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -108.77 -36.67 6.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.0 m -132.59 155.52 41.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.76 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.5 p -131.85 165.54 23.61 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.21 -43.39 82.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.599 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.2 t -62.74 -45.55 98.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.887 0.375 . . . . 0.0 110.544 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.88 -39.9 93.55 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-O 121.081 0.467 . . . . 0.0 110.981 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 53.3 t -59.34 -47.51 90.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.189 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -58.44 -45.81 87.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.776 0.322 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.21 -41.66 99.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.756 0.312 . . . . 0.0 110.694 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.69 -39.88 95.42 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.195 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 30.5 tp -56.74 -47.77 79.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.367 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -66.58 -46.33 76.34 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.739 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.16 -45.7 92.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.805 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.53 -44.13 97.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.221 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.9 p -62.98 -46.9 85.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.4 t -62.95 -47.47 83.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.418 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 31.7 ttm -58.86 -48.22 82.15 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.566 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.545 ' CD1' HH12 ' B' ' 19' ' ' ARG . 54.8 tp -60.97 -44.98 96.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.103 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.13 90.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.855 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.479 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 7.8 tmm_? -61.66 -45.66 93.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.064 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.485 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.0 mt-10 -60.63 -48.29 82.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.15 -179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.13 -40.82 97.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.102 0.477 . . . . 0.0 109.81 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 33.0 mt -60.18 -41.76 87.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.299 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.6 m -57.47 -45.81 84.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.043 0.449 . . . . 0.0 109.863 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.95 -42.27 99.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.516 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.27 -43.07 96.5 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.439 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 88.2 mt -60.9 -43.2 95.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.473 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -59.3 -38.89 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.098 0.475 . . . . 0.0 109.788 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.44 -41.12 98.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.869 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -59.3 -41.06 88.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -59.44 -41.5 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.18 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.79 -34.13 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.25 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.6 mt -83.67 -6.35 59.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.397 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 57.13 23.69 8.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.492 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.557 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -57.58 -36.04 71.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.582 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.9 mt-10 -58.77 -76.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.497 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' B' ' 3' ' ' GLU . 95.8 mt -38.19 -38.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.494 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.44 ' OE2' ' SD ' ' A' ' 68' ' ' MET . 96.1 mt-10 -65.17 -47.42 77.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.303 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' B' ' 3' ' ' GLU . 80.4 tt0 -67.42 -36.69 81.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.16 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 83.3 t -64.14 -42.0 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.362 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.58 -44.27 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.846 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.74 -40.9 89.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.59 -41.75 97.69 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.18 -42.64 99.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.828 0.346 . . . . 0.0 110.415 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.73 -43.89 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.694 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.42 -44.21 98.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.918 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -61.43 -45.65 93.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.893 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -60.18 -44.01 95.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.101 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.24 97.89 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.508 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.6 mm-40 -63.99 -42.79 97.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.88 -48.52 81.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.906 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.545 HH12 ' CD1' ' A' ' 86' ' ' LEU . 63.2 ttm-85 -61.29 -47.32 86.5 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.508 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 79.3 p -54.26 -45.09 72.33 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.69 -42.7 99.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.713 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.1 -50.09 75.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.485 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.1 m-85 -59.41 -42.14 91.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.704 179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.43 94.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.704 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.52 86.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.611 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.39 -45.32 94.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.305 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.712 ' HZ2' HE21 ' B' ' 31' ' ' GLN . 65.8 tttm -55.92 -42.03 75.46 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.99 -41.45 96.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.876 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.52 94.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.598 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.31 -29.35 69.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.062 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.712 HE21 ' HZ2' ' B' ' 27' ' ' LYS . 88.2 mt-30 -79.56 -4.29 50.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.337 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.79 12.72 76.84 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -96.07 79.62 3.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.858 0.361 . . . . 0.0 110.31 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -64.27 -34.86 79.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.604 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.66 78.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 110.822 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.19 -34.9 79.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.44 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.51 -48.01 79.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.548 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.63 -42.69 99.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.849 0.357 . . . . 0.0 110.606 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.49 99.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.693 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.76 -40.34 91.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.436 ' SD ' ' CD1' ' B' ' 95' ' ' ILE . 92.4 mmm -63.65 -41.04 98.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.17 -43.6 98.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.415 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.79 -41.11 97.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.33 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.08 -46.78 89.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.433 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -60.11 -42.23 94.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.288 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 60.7 mtt -61.36 -42.65 99.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.307 0.575 . . . . 0.0 110.672 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.5 99.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.155 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.491 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 98.2 mt -65.27 -39.94 93.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.735 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.88 -41.7 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.369 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.88 -40.7 95.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.156 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.9 82.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.455 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.94 -38.68 89.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.313 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.96 -43.22 99.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.319 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.27 -44.15 97.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.036 0.446 . . . . 0.0 109.99 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -60.07 -42.15 93.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.21 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -56.89 -43.59 81.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.919 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -62.86 -39.36 94.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.934 0.397 . . . . 0.0 110.615 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.64 -29.47 70.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.706 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.23 -31.59 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.796 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -83.2 -8.94 59.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.58 161.74 52.48 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.55 138.92 58.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.847 0.356 . . . . 0.0 110.465 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.29 142.53 54.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.393 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.44 -172.5 49.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.769 -0.933 . . . . 0.0 110.769 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.67 117.91 10.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 0.0 110.64 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.58 -0.86 80.89 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -99.97 138.8 36.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.68 0.276 . . . . 0.0 110.528 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' MET . . . . . 0.435 ' SD ' ' OE2' ' C' ' 5' ' ' GLU . 64.4 ttp -111.68 -86.1 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.636 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -109.09 -36.41 6.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.9 m -133.25 154.71 39.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.77 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 88.1 p -130.51 167.12 19.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.476 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tt -59.76 -42.97 94.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.536 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.25 -44.94 99.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.608 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.23 -39.12 91.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.123 0.487 . . . . 0.0 110.935 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.04 -47.43 91.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.256 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.6 -45.51 88.98 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.79 98.78 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.929 0.395 . . . . 0.0 110.426 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.5 -39.72 95.17 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.242 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 29.4 tp -56.99 -47.4 80.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.433 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -67.02 -46.34 74.78 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.701 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.84 -45.91 91.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.817 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.43 -43.98 97.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.247 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.3 p -63.14 -47.16 83.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.136 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 37.5 t -62.45 -47.44 84.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 32.0 ttm -58.91 -48.78 80.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.431 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.525 ' CD1' HH12 ' C' ' 19' ' ' ARG . 54.6 tp -60.6 -45.08 95.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.141 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.62 88.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.867 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.491 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 7.8 tmm_? -60.96 -46.08 92.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.291 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.476 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.9 mt-10 -60.33 -48.35 82.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.15 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.94 -40.94 97.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.08 0.467 . . . . 0.0 110.02 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 32.6 mt -60.2 -41.89 88.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.227 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 18.1 m -57.39 -45.58 84.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.012 0.435 . . . . 0.0 109.829 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.16 -42.01 99.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.491 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.43 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 83.2 mt -60.45 -42.92 97.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.436 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 89.3 mt -61.08 -42.89 94.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.546 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -59.58 -39.08 82.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.708 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.35 -41.34 98.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.836 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.0 m80 -58.9 -41.28 86.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.802 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -59.48 -41.26 89.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.111 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.95 -34.0 76.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 37.8 mt -83.85 -6.37 59.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.366 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 57.0 23.95 8.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.551 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.877 -1.059 . . . . 0.0 110.531 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -57.69 -36.22 71.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.594 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.7 mt-10 -58.49 -76.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.378 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' C' ' 3' ' ' GLU . 95.4 mt -38.18 -38.43 0.34 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.404 -179.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . 0.435 ' OE2' ' SD ' ' B' ' 68' ' ' MET . 96.0 mt-10 -64.87 -47.34 78.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 0.0 110.404 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' C' ' 3' ' ' GLU . 79.0 tt0 -67.42 -36.87 82.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.352 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 83.8 t -64.06 -42.07 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.378 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.32 -44.66 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.975 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.6 mtp -59.35 -41.11 88.47 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.2 -41.86 98.16 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.9 -43.19 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 110.424 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.18 -43.88 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.742 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.57 -44.15 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.101 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -61.34 -45.72 93.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.752 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -60.27 -44.04 95.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.168 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.24 -42.29 97.95 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . 0.493 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.2 mm-40 -63.85 -42.5 97.56 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.06 79.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.525 HH12 ' CD1' ' B' ' 86' ' ' LEU . 63.3 ttm-85 -60.83 -47.54 85.91 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.7 p -54.27 -44.83 72.18 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.76 -42.78 99.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.739 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.88 -50.44 73.99 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.476 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.1 m-85 -59.0 -42.76 90.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.556 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.21 92.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.755 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.77 87.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.601 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.28 -45.27 95.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.442 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . 0.727 ' HZ2' HE21 ' C' ' 31' ' ' GLN . 66.1 tttm -55.78 -42.25 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.91 -41.65 96.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.92 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.09 93.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.814 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.78 -29.24 70.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.065 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.727 HE21 ' HZ2' ' C' ' 27' ' ' LYS . 88.1 mt-30 -79.29 -4.43 50.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.21 12.18 76.82 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -95.89 80.37 3.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.754 0.312 . . . . 0.0 110.208 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -64.75 -35.12 80.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.526 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.38 79.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.046 0.451 . . . . 0.0 110.67 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -34.99 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.342 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.58 81.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.487 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.04 -42.96 99.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.61 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.6 99.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.759 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.67 -40.67 92.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.437 ' SD ' ' CD1' ' C' ' 95' ' ' ILE . 92.4 mmm -63.41 -41.44 98.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.584 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.85 -43.99 97.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.417 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.14 -41.2 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.318 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -61.18 -46.64 89.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.501 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.23 -42.33 94.98 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.334 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.9 mtt -61.18 -42.95 99.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.304 0.573 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.72 99.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.315 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . 0.483 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 97.3 mt -65.19 -39.53 92.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.782 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.68 -40.94 96.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.397 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.55 -40.52 92.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.014 0.435 . . . . 0.0 110.068 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.4 -44.73 82.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.51 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.06 -38.24 88.03 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.39 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.51 -43.12 99.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.321 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.22 -43.81 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.019 0.438 . . . . 0.0 109.982 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.34 -42.11 95.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.228 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 16.8 m -56.88 -43.21 81.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.123 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -63.2 -39.44 94.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.53 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.45 -29.67 70.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.754 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.408 HG23 HE21 ' D' ' 351' ' ' GLN . 96.8 mt -86.09 -31.68 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.819 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.534 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -83.07 -9.02 59.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.501 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.1 162.33 51.59 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.09 139.05 58.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.856 0.36 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.24 142.13 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.453 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.15 -172.18 48.88 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.87 118.29 10.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 110.535 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.22 -0.92 82.0 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -99.95 138.7 36.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.624 0.25 . . . . 0.0 110.546 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 64.7 ttp -111.74 -85.71 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.526 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . 0.465 ' NZ ' ' CD2' ' D' ' 347' ' ' LEU . 88.5 tttt -109.21 -36.79 5.95 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 24.2 m -132.73 154.72 40.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.767 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 87.7 p -129.87 169.31 15.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.532 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 tt -60.27 -43.72 95.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.731 -177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.59 -45.63 98.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 130.042 3.337 . . . . 0.0 110.602 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.94 -39.03 93.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.999 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.1 -47.86 90.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.169 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.64 -45.6 88.93 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.352 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.78 98.56 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.871 0.367 . . . . 0.0 110.398 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.59 -39.74 95.16 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.32 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 29.1 tp -56.76 -47.85 79.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.45 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -66.62 -46.36 76.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.668 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.19 -45.47 93.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.8 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.68 -43.93 97.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.359 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.8 p -63.09 -46.94 85.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.195 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 36.1 t -62.78 -47.43 83.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 85' ' ' MET . . . . . 0.55 ' CE ' HD22 ' D' ' 312' ' ' ASN . 31.7 ttm -59.02 -48.59 81.03 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.475 -179.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.71 -44.91 96.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.398 . . . . 0.0 110.195 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.48 88.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.981 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.483 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 8.0 tmm_? -61.18 -46.2 91.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.211 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.13 -48.32 82.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.208 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.09 -41.14 97.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.183 0.516 . . . . 0.0 110.017 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 33.1 mt -59.9 -41.9 87.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.367 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -57.3 -45.44 84.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.129 0.49 . . . . 0.0 109.993 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.37 -42.01 98.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.456 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.458 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 84.1 mt -60.34 -42.86 96.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . 0.437 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 88.5 mt -61.16 -43.08 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.513 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.2 -39.11 81.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.129 0.49 . . . . 0.0 109.781 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.44 -41.24 98.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.831 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.458 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.1 m80 -59.09 -41.2 87.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.77 -40.87 89.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.081 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.09 -33.95 76.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.167 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 37.0 mt -84.08 -6.62 59.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.323 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 57.7 23.58 9.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.447 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.592 -179.889 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 301' ' ' MET . . . . . 0.51 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.82 0.819 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.88 142.98 36.48 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.523 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 303' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.36 38.7 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.968 -1.083 . . . . 0.0 109.535 179.196 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 304' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.21 28.54 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.572 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.36 18.94 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.101 -1.0 . . . . 0.0 108.425 178.306 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.87 144.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.58 136.61 36.86 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.007 0.908 . . . . 0.0 110.178 177.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -85.0 114.34 25.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 105.326 -2.101 . . . . 0.0 105.326 177.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.88 -4.29 19.35 Favored 'General case' 0 C--N 1.265 -3.075 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 310' ' ' ALA . . . . . 0.909 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.58 141.84 85.66 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 119.686 -1.884 . . . . 0.0 110.564 178.76 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.43 -47.76 12.62 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 124.731 3.62 . . . . 0.0 114.115 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -102.12 27.53 6.57 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 116.125 -2.23 . . . . 0.0 108.746 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.02 -143.36 47.23 Favored Glycine 0 N--CA 1.497 2.758 0 C-N-CA 117.62 -2.229 . . . . 0.0 109.576 -179.088 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.6 tp -88.46 73.3 8.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.942 -1.328 . . . . 0.0 109.493 -177.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 315' ' ' HIS . . . . . 0.599 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.4 p80 -65.73 176.67 1.47 Allowed 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 117.856 -1.538 . . . . 0.0 112.183 -178.524 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 316' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.5 p -41.26 -66.85 0.29 Allowed 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 -176.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.53 ' N ' ' OG1' ' D' ' 316' ' ' THR . 1.7 tmt_? -56.32 -51.27 82.27 Favored Pre-proline 0 N--CA 1.493 1.684 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.525 -177.521 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 318' ' ' PRO . . . . . 0.442 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.7 Cg_endo -64.42 -32.23 60.6 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 CA-C-N 119.3 0.786 . . . . 0.0 111.426 -178.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 319' ' ' ALA . . . . . . . . . . . . . . . -66.99 -38.78 86.66 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.284 -0.885 . . . . 0.0 109.529 -179.364 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -71.02 -39.71 72.21 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -63.94 -39.42 94.1 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.042 -1.463 . . . . 0.0 109.492 177.118 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 322' ' ' PHE . . . . . 0.55 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.71 -45.3 93.41 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.614 1.197 . . . . 0.0 108.672 -177.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 323' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.69 -42.23 95.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.618 -179.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.87 -40.27 96.15 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.731 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 325' ' ' GLU . . . . . 0.459 ' CD ' HD21 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.81 -39.74 79.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 109.565 178.02 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.99 91.62 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.657 -1.277 . . . . 0.0 109.439 178.558 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.42 -16.13 43.71 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.53 86.14 Favored Glycine 0 N--CA 1.479 1.553 0 O-C-N 119.931 -1.731 . . . . 0.0 109.347 179.083 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.408 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.35 32.83 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.338 -1.684 . . . . 0.0 109.98 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.1 p -75.61 -30.13 59.46 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.313 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.66 158.53 9.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 119.817 -1.802 . . . . 0.0 112.841 -179.227 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.24 35.39 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 102.792 -3.04 . . . . 0.0 102.792 171.242 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.72 136.56 60.45 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.41 0 CA-C-O 122.163 0.982 . . . . 0.0 109.351 -178.347 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 334' ' ' THR . . . . . 0.407 HG23 ' N ' ' D' ' 335' ' ' VAL . 93.5 m -124.93 143.16 51.01 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-O 123.121 1.439 . . . . 0.0 110.033 178.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 335' ' ' VAL . . . . . 0.407 ' N ' HG23 ' D' ' 334' ' ' THR . 87.1 t -108.05 129.97 61.34 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.737 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 173.071 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 336' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' D' ' 340' ' ' LYS . 70.7 m -127.47 119.53 26.31 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.87 -1.144 . . . . 0.0 108.909 -178.369 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.6 122.62 39.29 Favored 'General case' 0 N--CA 1.5 2.072 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.884 177.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 38.9 24.14 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.851 -1.155 . . . . 0.0 112.792 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.71 11.03 83.47 Favored Glycine 0 N--CA 1.501 3.013 0 O-C-N 119.944 -1.722 . . . . 0.0 112.491 177.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 340' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.9 136.26 54.57 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 177.522 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.74 158.54 33.02 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-O 123.751 1.739 . . . . 0.0 112.416 -175.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.36 31.31 Favored 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 112.513 -2.13 . . . . 0.0 108.579 177.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 343' ' ' SER . . . . . 0.665 ' HG ' ' H ' ' D' ' 345' ' ' LYS . 8.1 t -70.58 135.91 48.84 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.519 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 344' ' ' ALA . . . . . . . . . . . . . . . -72.92 -6.74 47.21 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.737 -1.227 . . . . 0.0 110.739 179.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 345' ' ' LYS . . . . . 0.665 ' H ' ' HG ' ' D' ' 343' ' ' SER . 83.8 mttt -97.56 12.96 31.69 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.605 -1.309 . . . . 0.0 109.32 -177.806 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.8 p -133.05 104.17 6.4 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 122.199 1.0 . . . . 0.0 110.146 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.2 -38.0 73.02 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.891 178.275 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.87 -51.32 70.52 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.637 -1.29 . . . . 0.0 113.07 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.39 70.38 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 119.537 -1.977 . . . . 0.0 109.2 -178.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.79 75.88 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.921 -177.515 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 351' ' ' GLN . . . . . 0.532 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 67.0 tp60 -67.65 -10.5 52.74 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.67 -0.644 . . . . 0.0 109.92 -177.537 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 352' ' ' THR . . . . . 0.437 ' C ' ' OE1' ' C' ' 60' ' ' GLU . 35.3 p -89.71 -7.77 53.82 Favored 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 118.117 -1.433 . . . . 0.0 110.917 -178.416 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 353' ' ' LEU . . . . . 0.477 ' O ' ' CD ' ' C' ' 60' ' ' GLU . 95.1 mt -93.37 159.28 15.33 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.221 -0.924 . . . . 0.0 110.163 -178.505 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.91 2.97 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 106.846 -2.501 . . . . 0.0 106.846 177.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.1 mt -119.68 47.47 1.71 Allowed 'General case' 0 C--N 1.308 -1.2 0 O-C-N 120.694 -1.474 . . . . 0.0 107.403 -178.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 61.9 p -81.5 172.52 13.4 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.836 -1.145 . . . . 0.0 109.155 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.71 140.91 57.35 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.901 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.47 -3.25 78.87 Favored Glycine 0 N--CA 1.501 2.986 0 C-N-CA 119.968 -1.111 . . . . 0.0 111.325 177.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.45 136.01 34.02 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.842 -1.387 . . . . 0.0 110.58 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 91.2 t -96.65 123.77 49.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 176.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 361' ' ' VAL . . . . . . . . . . . . . 22.5 m -112.14 160.11 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.317 0 C-N-CA 117.424 -1.71 . . . . 0.0 110.635 178.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 362' ' ' THR . . . . . . . . . . . . . 91.8 m -108.95 128.41 54.91 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.497 -1.377 . . . . 0.0 107.552 175.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 363' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.9 121.43 60.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 176.354 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 364' ' ' SER . . . . . 0.407 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.66 147.25 50.73 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 -179.523 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.78 153.45 47.14 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 118.5 -1.28 . . . . 0.0 109.684 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 366' ' ' GLU . . . . . 0.51 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.72 6.4 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 118.538 -1.265 . . . . 0.0 108.071 178.187 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.29 -170.29 40.17 Favored Glycine 0 C--N 1.296 -1.677 0 C-N-CA 117.971 -2.062 . . . . 0.0 110.345 178.647 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.39 -40.63 82.89 Favored 'General case' 0 C--N 1.275 -2.658 0 CA-C-N 114.445 -0.878 . . . . 0.0 112.163 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.06 36.8 3.54 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 115.906 -2.318 . . . . 0.0 108.621 -178.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.49 65.78 Favored 'General case' 0 N--CA 1.521 3.114 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -174.049 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 371' ' ' GLN . . . . . 0.471 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.9 -45.77 26.82 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.597 -1.939 . . . . 0.0 110.919 -176.526 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' D' D ' 372' ' ' LYS . . . . . 0.774 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.64 97.59 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.264 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.47 77.74 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 117.481 -1.688 . . . . 0.0 110.057 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.93 -42.16 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-O 122.176 0.988 . . . . 0.0 109.277 -178.137 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.84 -47.87 76.5 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-O 122.085 0.945 . . . . 0.0 108.82 -178.352 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 376' ' ' HIS . . . . . 0.774 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.83 -38.28 76.49 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.699 -178.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 377' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.1 mt -75.7 -28.54 58.65 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.42 -1.425 . . . . 0.0 110.846 -174.23 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.51 -39.51 70.71 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.428 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.28 62.92 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 380' ' ' LEU . . . . . 0.459 HD21 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.26 -45.14 84.28 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.565 177.575 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 381' ' ' MET . . . . . . . . . . . . . 3.6 ttm -62.4 -37.39 85.59 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.941 -1.099 . . . . 0.0 111.468 -177.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.06 -1.025 . . . . 0.0 110.285 -178.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.87 -32.3 45.9 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.548 -0.72 . . . . 0.0 111.387 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.03 125.52 12.3 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 124.292 1.996 . . . . 0.0 112.911 178.618 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 385' ' ' GLU . . . . . 0.909 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 47.6 mt-10 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.126 -2.761 . . . . 0.0 110.097 -177.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -57.43 -36.62 71.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.514 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.2 mt-10 -58.66 -77.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.464 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' GLU . 95.7 mt -37.28 -38.28 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.399 -179.035 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.23 -46.7 79.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.915 0.388 . . . . 0.0 110.309 179.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' GLU . 81.8 tt0 -68.46 -35.03 77.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.257 179.83 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.56 -42.87 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.384 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.81 -43.84 96.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.977 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.2 mtp -59.33 -41.03 88.18 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.2 -42.12 96.53 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 mt -63.31 -42.34 99.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.15 179.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.34 -44.08 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.704 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.7 mt -63.2 -44.09 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.988 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.33 -45.52 94.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.82 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 t -60.64 -44.01 96.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.002 179.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.21 -43.03 97.66 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.73 -45.13 94.14 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.43 79.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.859 179.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.643 ' NH2' ' CZ ' ' A' ' 23' ' ' TYR . 77.4 ttt-85 -60.29 -47.27 86.72 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.589 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -54.78 -43.81 73.15 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.34 -43.2 98.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.687 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.38 -50.2 74.88 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.643 ' CZ ' ' NH2' ' A' ' 19' ' ' ARG . 8.0 m-85 -59.51 -42.44 92.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.532 179.508 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.19 93.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.785 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -42.73 83.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.68 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.39 -44.75 96.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.451 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -56.11 -42.17 76.39 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.09 -41.49 96.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.743 179.161 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.65 94.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.698 179.263 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.07 -29.54 69.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.145 179.067 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -80.51 -4.72 54.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.499 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.9 14.18 73.16 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.61 79.73 2.75 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 120.729 0.3 . . . . 0.0 110.331 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -65.23 -34.72 79.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.66 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.36 -49.42 73.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.083 0.468 . . . . 0.0 110.747 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.67 81.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.381 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.85 -48.5 78.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -60.09 -42.98 95.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.632 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.19 94.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.78 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -64.94 -41.53 95.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.493 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.528 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 98.5 mmm -63.13 -40.19 96.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.606 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -62.32 -43.99 97.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.024 0.44 . . . . 0.0 110.621 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.64 -40.45 96.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.206 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.62 ' HG ' ' HE ' ' A' ' 88' ' ' ARG . 78.7 p -61.74 -45.44 93.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.532 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.53 ' N ' ' HG ' ' A' ' 44' ' ' SER . 62.1 ttp180 -59.79 -42.94 94.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.247 -179.83 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.0 ttp -60.38 -44.41 95.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.215 0.531 . . . . 0.0 110.593 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.96 99.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.25 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.31 -40.69 96.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.683 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 49' ' ' ASN . 51.1 t-20 -60.7 -41.69 95.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.302 -179.511 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.72 -40.3 95.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.071 0.463 . . . . 0.0 110.265 179.437 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.26 78.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.486 179.403 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.425 ' CE1' ' CG2' ' A' ' 56' ' ' THR . 59.9 t-80 -60.98 -39.0 87.97 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.437 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.493 ' O ' ' OG1' ' A' ' 56' ' ' THR . 40.2 mt -60.66 -44.3 96.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.9 t -65.08 -43.36 95.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.02 0.438 . . . . 0.0 110.066 178.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.721 HE21 ' NE2' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -58.87 -44.85 91.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.207 -179.882 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 53' ' ' LEU . 40.5 p -58.07 -39.54 78.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.983 -179.519 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -64.07 -40.48 96.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.4 . . . . 0.0 110.504 179.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.29 -29.92 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.638 -179.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.588 ' CG1' HE22 ' A' ' 55' ' ' GLN . 96.7 mt -78.29 -30.76 15.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.772 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -83.87 -13.03 54.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.19 -163.12 0.13 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -86.9 112.05 21.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.389 . . . . 0.0 110.574 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.22 143.37 53.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.527 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.73 144.11 44.81 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -68.05 131.23 45.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.869 0.366 . . . . 0.0 110.729 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.85 -18.4 55.97 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.9 140.19 35.47 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.746 0.308 . . . . 0.0 110.425 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.6 mmm -70.34 -107.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.616 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.537 ' HZ3' ' CD1' ' B' ' 12' ' ' ILE . 88.6 tttt -69.72 -95.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.919 0.39 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 71' ' ' SER . 20.1 m -88.97 -148.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.741 -179.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.405 ' N ' HG22 ' A' ' 70' ' ' VAL . 83.8 p -133.13 167.59 20.06 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 178.462 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 tp -56.73 -43.4 80.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.626 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.72 -44.96 99.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.532 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.46 -40.19 93.61 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.002 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.43 -47.03 92.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.172 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -58.11 -46.15 86.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.789 0.328 . . . . 0.0 110.301 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.37 98.86 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.817 0.341 . . . . 0.0 110.636 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.721 ' NE2' HE21 ' A' ' 55' ' ' GLN . 94.0 mm-40 -61.78 -39.62 92.31 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.139 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 42.5 tp -58.39 -46.63 86.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.364 -179.121 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -67.68 -48.45 66.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.689 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.24 -44.94 96.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.81 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.0 -42.63 99.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.228 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.1 p -64.82 -46.12 83.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.117 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.44 -49.56 74.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.56 -47.89 80.82 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.514 -179.282 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.89 -44.64 96.39 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.088 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.43 80.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.86 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.62 ' HE ' ' HG ' ' A' ' 44' ' ' SER . 67.6 ttt-85 -58.73 -45.18 90.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.141 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.579 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 97.4 mt-10 -60.91 -44.16 97.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.078 -179.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.41 -42.92 95.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.216 0.531 . . . . 0.0 109.851 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 74.0 mt -59.95 -42.18 88.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.29 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.528 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 18.1 m -57.1 -45.51 83.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.037 0.446 . . . . 0.0 109.949 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.3 -43.89 96.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.254 0.549 . . . . 0.0 109.569 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 85.5 mt -59.87 -43.71 94.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.89 -43.13 97.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.468 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -61.8 -39.6 92.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.749 179.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.5 mt -62.1 -41.52 98.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.84 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.6 m80 -59.25 -38.97 81.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.204 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 103' ' ' ALA . 81.6 tt0 -61.44 -39.81 92.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.168 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' ALA . 61.4 mttp -63.5 -39.15 93.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.199 179.589 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.55 -40.83 96.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.464 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -93.39 -8.0 43.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.451 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.582 -179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -57.08 -36.92 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.0 mt-10 -58.42 -76.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.476 -179.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' B' ' 3' ' ' GLU . 95.7 mt -37.48 -38.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.457 -179.183 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.17 -46.72 79.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.929 0.395 . . . . 0.0 110.335 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' B' ' 3' ' ' GLU . 82.0 tt0 -68.27 -35.04 77.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.245 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 86.0 t -64.7 -42.98 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.348 -179.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 87.9 t -60.81 -43.74 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.869 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.46 -41.12 88.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.39 96.88 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 36.2 mt -63.07 -42.36 99.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.347 . . . . 0.0 110.376 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.537 ' CD1' ' HZ3' ' A' ' 69' ' ' LYS . 92.7 mt -63.44 -44.01 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.676 179.633 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.27 -44.35 99.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.887 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.05 -45.61 94.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.887 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 35.8 t -60.61 -43.93 96.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.067 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.18 -42.98 97.75 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -62.79 -45.49 92.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.97 -48.71 77.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.892 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.643 ' NH2' ' CZ ' ' B' ' 23' ' ' TYR . 77.4 ttt-85 -60.0 -47.22 86.71 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -54.83 -43.98 73.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.14 -43.21 98.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.7 179.022 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.4 -50.15 75.06 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . 0.643 ' CZ ' ' NH2' ' B' ' 19' ' ' ARG . 8.0 m-85 -59.53 -42.51 92.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.686 179.402 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.05 93.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.753 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.98 83.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.658 179.036 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.14 -45.22 95.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.314 179.104 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -55.76 -42.22 75.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.95 -41.49 96.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.88 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.69 94.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.689 179.269 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.09 -29.54 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.089 179.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -80.67 -4.6 54.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.336 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.05 13.99 73.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.52 79.72 2.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 110.275 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -65.45 -34.76 79.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.596 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.78 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.0 0.428 . . . . 0.0 110.841 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.08 -35.57 80.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.416 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.18 79.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.576 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -60.23 -43.03 96.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.76 0.314 . . . . 0.0 110.58 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.47 95.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.669 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.3 mmm -64.86 -41.18 95.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' MET . . . . . 0.524 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.4 mmm -63.59 -39.84 95.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.532 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -62.76 -43.89 97.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.468 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.65 -40.47 96.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.353 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.616 ' HG ' ' HE ' ' B' ' 88' ' ' ARG . 78.4 p -61.69 -45.35 94.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.465 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.535 ' N ' ' HG ' ' B' ' 44' ' ' SER . 62.1 ttp180 -60.0 -42.85 95.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.22 -179.726 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 64.9 ttp -60.41 -44.29 95.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.251 0.548 . . . . 0.0 110.609 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.32 -42.35 99.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.198 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.99 -40.55 95.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.71 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 51.2 t-20 -60.41 -41.81 94.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.376 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.97 -40.21 94.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.156 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.79 -45.27 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.424 179.371 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' HIS . . . . . 0.432 ' CE1' ' CG2' ' B' ' 56' ' ' THR . 59.9 t-80 -60.99 -39.05 88.19 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . 0.493 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.5 mt -60.5 -44.19 96.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.387 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.46 -43.18 94.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.069 0.462 . . . . 0.0 110.037 178.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.71 HE21 ' NE2' ' B' ' 78' ' ' GLN . 0.0 OUTLIER -58.89 -44.95 91.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.275 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' B' ' 53' ' ' LEU . 40.7 p -58.0 -39.95 79.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.934 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -63.6 -40.75 97.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.979 0.419 . . . . 0.0 110.555 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.99 -29.96 71.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.703 -179.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . 0.576 ' CG1' HE22 ' B' ' 55' ' ' GLN . 96.7 mt -78.28 -30.73 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -83.88 -12.98 54.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.93 -163.17 0.12 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -87.08 111.19 20.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.52 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.52 143.45 54.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.14 144.85 45.36 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -68.32 131.78 45.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.603 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.33 -18.24 56.73 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.95 140.65 35.13 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.575 0.226 . . . . 0.0 110.521 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mmm -70.8 -107.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' LYS . . . . . 0.554 ' HZ3' ' CD1' ' C' ' 12' ' ' ILE . 88.5 tttt -69.78 -95.72 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.853 179.661 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.8 m -87.06 -149.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.798 179.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 89.3 p -132.39 168.56 17.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.594 -178.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.83 -43.1 90.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.551 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 66.8 t -61.93 -44.64 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.593 -178.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.62 -39.47 91.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.088 0.471 . . . . 0.0 110.957 -178.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 51.1 t -59.84 -47.1 92.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.258 -179.175 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.79 -45.42 89.88 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.362 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.34 98.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.953 0.406 . . . . 0.0 110.456 179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 78' ' ' GLN . . . . . 0.71 ' NE2' HE21 ' B' ' 55' ' ' GLN . 93.8 mm-40 -61.91 -39.57 92.46 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.181 179.527 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.34 -46.66 85.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.401 -179.221 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.8 -48.11 67.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.693 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.74 -44.8 96.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 -179.102 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.8 -43.11 99.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.253 -179.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.3 p -64.35 -46.33 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.149 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -62.17 -49.8 74.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.605 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -57.25 -47.84 80.36 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.438 -179.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.03 -44.64 96.27 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.11 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.79 78.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.926 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.616 ' HE ' ' HG ' ' B' ' 44' ' ' SER . 67.7 ttt-85 -58.54 -45.11 89.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.214 -179.564 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 97.9 mt-10 -60.99 -44.26 97.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.213 -179.763 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.26 -42.62 96.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.095 0.474 . . . . 0.0 110.073 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.26 -41.83 88.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.251 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.524 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 18.0 m -57.37 -45.55 84.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.115 0.483 . . . . 0.0 109.913 179.469 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.51 -43.59 96.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.462 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.569 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 85.9 mt -59.88 -43.77 94.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.97 -43.29 97.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.504 179.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -61.66 -39.9 92.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.671 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.89 -41.41 97.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.77 179.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.7 m80 -59.33 -39.09 82.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.263 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.572 ' O ' ' N ' ' B' ' 103' ' ' ALA . 82.1 tt0 -61.18 -40.03 92.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.037 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 100' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' B' ' 103' ' ' ALA . 61.5 mttp -63.37 -38.97 93.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.231 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.5 -41.88 96.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.331 179.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -92.51 -7.81 46.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.4 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.546 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -57.63 -36.69 72.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.0 mt-10 -58.44 -77.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' C' ' 3' ' ' GLU . 94.8 mt -37.27 -38.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.449 -178.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.17 -46.4 80.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.838 0.351 . . . . 0.0 110.362 179.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 6' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' C' ' 3' ' ' GLU . 82.2 tt0 -68.67 -34.97 76.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.278 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 89.1 t -64.69 -42.77 95.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 89.7 t -60.85 -43.67 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.033 179.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mtp -59.63 -40.7 88.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.26 -42.59 96.16 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 179.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 36.5 mt -62.8 -42.55 99.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.368 179.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.554 ' CD1' ' HZ3' ' B' ' 69' ' ' LYS . 94.0 mt -63.06 -44.04 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.7 179.607 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 83.5 mt -63.29 -44.31 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.039 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.09 -45.45 94.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.82 179.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t -60.64 -44.13 96.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.179 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.75 -43.19 98.12 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -62.9 -45.02 94.48 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.5 -48.49 79.1 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . 0.637 ' NH2' ' CZ ' ' C' ' 23' ' ' TYR . 77.7 ttt-85 -60.21 -47.23 86.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.75 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -54.96 -43.93 73.9 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.18 -43.08 99.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.682 179.119 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.54 -50.16 74.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 23' ' ' TYR . . . . . 0.637 ' CZ ' ' NH2' ' C' ' 19' ' ' ARG . 8.0 m-85 -59.51 -42.62 92.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.519 179.485 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.71 92.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.731 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.99 -42.64 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.658 179.19 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.19 -45.14 95.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.426 178.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -55.92 -42.31 75.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.93 -41.47 96.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.924 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.55 93.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.819 179.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.57 -29.41 70.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.119 179.095 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -80.29 -4.65 54.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.465 179.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.7 14.17 73.76 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.51 79.9 2.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.794 0.331 . . . . 0.0 110.209 179.591 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -65.49 -34.75 79.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.493 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.0 72.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.059 0.457 . . . . 0.0 110.68 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.57 81.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.408 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.62 77.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.407 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -59.69 -43.22 94.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.588 -179.57 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.58 95.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -64.94 -41.39 95.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 41' ' ' MET . . . . . 0.54 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 98.3 mmm -63.25 -40.18 96.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.622 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -62.52 -43.91 97.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.876 0.369 . . . . 0.0 110.4 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.63 -40.31 96.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.271 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 44' ' ' SER . . . . . 0.595 ' HG ' ' HE ' ' C' ' 88' ' ' ARG . 78.1 p -62.0 -45.37 93.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 -179.818 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.532 ' N ' ' HG ' ' C' ' 44' ' ' SER . 62.4 ttp180 -59.85 -42.85 94.55 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.352 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.28 -44.38 95.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.313 0.578 . . . . 0.0 110.577 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.78 99.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.325 179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.42 -40.42 95.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.698 179.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -60.99 -41.57 96.73 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.277 -179.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -64.74 -40.75 95.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.028 179.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.24 80.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.439 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 52' ' ' HIS . . . . . 0.428 ' CE1' ' CG2' ' C' ' 56' ' ' THR . 60.0 t-80 -61.2 -38.89 88.18 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.346 -179.819 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 53' ' ' LEU . . . . . 0.495 ' O ' ' OG1' ' C' ' 56' ' ' THR . 39.2 mt -60.83 -44.19 97.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.235 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 66.1 t -65.36 -43.22 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.045 0.45 . . . . 0.0 109.927 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 55' ' ' GLN . . . . . 0.717 HE21 ' NE2' ' C' ' 78' ' ' GLN . 0.0 OUTLIER -58.88 -45.09 91.03 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.275 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 56' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' C' ' 53' ' ' LEU . 41.3 p -57.88 -39.44 77.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.197 -179.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -64.26 -40.56 96.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.445 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.82 -30.21 71.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.768 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.58 ' CG1' HE22 ' C' ' 55' ' ' GLN . 96.8 mt -78.26 -30.51 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . 0.532 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.4 mm-40 -83.92 -13.03 54.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.437 179.61 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.05 -163.37 0.13 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -86.85 111.28 20.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.535 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.66 143.19 54.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.477 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.99 144.69 45.36 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -68.27 131.72 45.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.599 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.3 -18.2 56.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.92 140.36 35.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.622 0.249 . . . . 0.0 110.516 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mmm -70.68 -107.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.585 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -69.63 -95.65 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.618 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 20.9 m -87.39 -150.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.71 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 88.2 p -131.5 170.63 14.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.507 -178.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 50.2 tp -58.86 -44.12 90.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.653 -177.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 73' ' ' VAL . . . . . . . . . . . . . 62.7 t -62.54 -44.85 99.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 130.06 3.344 . . . . 0.0 110.633 -178.052 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.58 -39.29 94.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 177.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.03 -48.0 89.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.193 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.41 -45.86 87.57 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.45 98.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.864 0.364 . . . . 0.0 110.363 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 78' ' ' GLN . . . . . 0.717 ' NE2' HE21 ' C' ' 55' ' ' GLN . 93.9 mm-40 -61.61 -39.59 91.79 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.316 179.295 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 41.7 tp -58.38 -46.58 86.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.47 -179.209 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.82 -48.23 66.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.74 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.49 -44.99 96.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.808 -179.145 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.7 -42.94 99.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.334 -179.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 83' ' ' THR . . . . . . . . . . . . . 20.4 p -64.61 -46.31 83.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.114 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.24 -49.63 74.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.573 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.2 -47.79 80.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.701 0.286 . . . . 0.0 110.468 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.18 -44.68 96.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.411 . . . . 0.0 110.166 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.63 -48.83 78.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.0 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 88' ' ' ARG . . . . . 0.595 ' HE ' ' HG ' ' C' ' 44' ' ' SER . 67.2 ttt-85 -58.61 -45.1 89.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.261 -179.534 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.61 -44.54 96.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.193 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.22 -42.82 96.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.139 0.495 . . . . 0.0 109.992 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 75.8 mt -60.12 -41.87 88.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.419 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 92' ' ' THR . . . . . 0.54 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 17.3 m -57.43 -45.37 84.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.037 0.446 . . . . 0.0 109.957 179.43 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.6 -43.71 96.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.499 179.278 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 85.5 mt -59.86 -43.66 94.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.85 -43.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.541 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.54 -39.76 92.23 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.98 -41.4 97.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.877 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 65.2 m80 -59.37 -39.04 82.03 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.186 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 99' ' ' GLU . . . . . 0.571 ' O ' ' N ' ' C' ' 103' ' ' ALA . 81.5 tt0 -61.3 -39.9 92.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.106 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 100' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 103' ' ' ALA . 61.4 mttp -63.52 -38.83 92.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.16 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.52 -41.76 96.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.302 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -92.68 -7.82 45.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 103' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.514 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.521 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.867 0.841 . . . . 0.0 108.947 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.78 143.04 36.71 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.34 38.67 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.011 -1.056 . . . . 0.0 109.582 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.21 28.52 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.29 18.99 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.061 -1.025 . . . . 0.0 108.414 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.35 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.73 136.62 37.01 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 122.161 0.982 . . . . 0.0 110.101 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.5 mt -84.9 114.27 24.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.91 -4.22 19.39 Favored 'General case' 0 C--N 1.265 -3.105 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.819 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.81 85.78 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.637 -1.914 . . . . 0.0 110.645 178.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.43 -47.72 12.68 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 124.808 3.672 . . . . 0.0 114.17 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -102.14 27.61 6.51 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 116.049 -2.26 . . . . 0.0 108.783 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.49 -141.0 47.62 Favored Glycine 0 N--CA 1.496 2.689 0 C-N-CA 117.709 -2.186 . . . . 0.0 109.599 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.4 tp -89.76 64.77 6.59 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.975 -1.309 . . . . 0.0 109.531 -177.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 315' ' ' HIS . . . . . 0.505 ' HE1' ' OXT' ' D' ' 385' ' ' GLU . 0.7 OUTLIER -53.79 177.94 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.144 -178.063 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.559 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.0 OUTLIER -45.77 -65.95 0.47 Allowed 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -176.575 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.559 ' N ' ' OG1' ' D' ' 316' ' ' THR . 5.4 tmm_? -56.47 -49.95 90.52 Favored Pre-proline 0 N--CA 1.492 1.658 0 C-N-CA 120.163 -0.615 . . . . 0.0 112.522 -177.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.1 -32.19 64.22 Favored 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 120.577 0.851 . . . . 0.0 111.497 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.476 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.84 86.85 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.529 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.447 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -71.0 -39.65 72.3 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.94 -39.44 94.16 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.004 -1.478 . . . . 0.0 109.478 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.67 -45.3 93.43 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 122.638 1.208 . . . . 0.0 108.722 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.607 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 53.2 t -62.62 -42.27 95.34 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.216 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.676 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.9 -40.27 96.1 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.708 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.81 -39.64 79.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.436 -0.79 . . . . 0.0 109.59 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.06 91.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.573 -1.329 . . . . 0.0 109.454 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 327' ' ' LYS . . . . . 0.607 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.0 mttp -61.24 -16.18 42.55 Favored 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.91 -10.61 86.09 Favored Glycine 0 N--CA 1.48 1.585 0 O-C-N 119.941 -1.725 . . . . 0.0 109.252 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.412 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.3 32.87 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.229 -1.747 . . . . 0.0 109.978 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.52 -30.11 59.69 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.236 -0.915 . . . . 0.0 112.381 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.78 158.56 10.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 119.833 -1.792 . . . . 0.0 112.837 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.25 35.4 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 102.774 -3.047 . . . . 0.0 102.774 171.289 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.78 136.59 60.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-O 122.271 1.034 . . . . 0.0 109.302 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.8 m -124.94 143.18 51.01 Favored 'General case' 0 C--N 1.286 -2.173 0 CA-C-O 123.108 1.432 . . . . 0.0 109.997 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.4 t -108.02 129.94 61.36 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.719 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.5 m -127.45 119.54 26.34 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.85 -1.157 . . . . 0.0 108.917 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.53 122.62 39.32 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.881 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.5 t30 51.75 38.92 24.27 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.865 -1.147 . . . . 0.0 112.797 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.72 10.93 83.59 Favored Glycine 0 N--CA 1.502 3.038 0 O-C-N 119.896 -1.752 . . . . 0.0 112.585 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.84 136.28 54.54 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 69.1 m -124.81 158.59 33.01 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.767 1.746 . . . . 0.0 112.393 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.39 31.35 Favored 'General case' 0 C--N 1.278 -2.533 0 CA-C-N 112.492 -2.14 . . . . 0.0 108.598 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.67 135.96 48.71 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.98 -6.7 47.13 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.685 -1.259 . . . . 0.0 110.716 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.59 13.03 31.51 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.639 -1.288 . . . . 0.0 109.383 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.6 t -133.1 104.14 6.37 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 122.159 0.98 . . . . 0.0 110.14 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.6 tp -57.27 -37.9 73.07 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.95 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -58.82 -51.43 70.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.594 -1.316 . . . . 0.0 113.079 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.45 70.61 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 119.582 -1.949 . . . . 0.0 109.172 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.8 -33.74 75.83 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.932 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -67.66 -10.42 52.09 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.594 -0.691 . . . . 0.0 109.979 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 41.7 p -89.79 -7.73 53.74 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 118.157 -1.417 . . . . 0.0 110.937 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.9 mt -93.37 159.27 15.33 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.222 -0.924 . . . . 0.0 110.233 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.81 2.96 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 106.965 -2.454 . . . . 0.0 106.965 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 90.5 mt -119.55 47.32 1.73 Allowed 'General case' 0 C--N 1.308 -1.209 0 O-C-N 120.661 -1.494 . . . . 0.0 107.402 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.57 ' CG2' HG21 ' C' ' 56' ' ' THR . 62.0 p -81.43 172.54 13.41 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.184 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.68 140.95 57.29 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.829 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.19 78.99 Favored Glycine 0 N--CA 1.502 3.039 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.329 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.5 135.96 34.02 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.904 -1.351 . . . . 0.0 110.641 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.5 123.64 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.14 160.11 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 117.365 -1.734 . . . . 0.0 110.716 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.87 128.39 54.87 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.544 -1.347 . . . . 0.0 107.568 175.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.86 121.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.26 50.72 Favored 'General case' 0 C--N 1.286 -2.185 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.42 47.17 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 118.531 -1.268 . . . . 0.0 109.717 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.521 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.76 6.41 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.012 178.2 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.34 40.17 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 118.0 -2.048 . . . . 0.0 110.356 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.66 82.66 Favored 'General case' 0 C--N 1.275 -2.658 0 CA-C-N 114.41 -0.895 . . . . 0.0 112.232 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -113.99 36.79 3.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 118.966 -2.334 . . . . 0.0 108.566 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.4 -33.56 65.89 Favored 'General case' 0 N--CA 1.522 3.126 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 -174.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.437 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.7 27.38 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 119.606 -1.934 . . . . 0.0 110.982 -176.573 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.763 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.46 -40.69 97.8 Favored 'General case' 0 C--N 1.284 -2.245 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.51 77.58 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.466 -1.693 . . . . 0.0 110.062 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.8 -42.24 88.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 CA-C-O 122.2 1.0 . . . . 0.0 109.264 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.91 -47.87 76.68 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-O 122.029 0.919 . . . . 0.0 108.725 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.763 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.82 -38.3 76.51 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.675 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.439 HD22 ' CE1' ' D' ' 322' ' ' PHE . 79.9 mt -75.69 -28.55 58.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.276 -1.515 . . . . 0.0 110.86 -174.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.55 -39.49 70.32 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.378 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.14 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.22 -45.17 84.1 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 118.973 -1.091 . . . . 0.0 110.596 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.39 -37.37 85.51 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.92 -1.113 . . . . 0.0 111.517 -177.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.71 61.57 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.087 -1.008 . . . . 0.0 110.291 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.98 -32.25 45.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.456 -0.777 . . . . 0.0 111.336 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.08 125.48 12.31 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 124.275 1.988 . . . . 0.0 112.886 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.819 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 96.6 mt-10 . . . . . 0 C--N 1.277 -2.579 0 CA-C-N 111.165 -2.743 . . . . 0.0 110.121 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 8' ' ' VAL . 53.1 mt . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -64.65 -46.68 81.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.851 0.358 . . . . 0.0 110.276 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.78 -35.1 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.241 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.71 -42.24 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.284 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 4' ' ' LEU . 72.2 t -60.21 -44.46 95.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.907 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -58.47 -41.2 84.69 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.77 98.33 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.348 -1.101 . . . . 0.0 110.348 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.452 HD13 ' OE1' ' A' ' 55' ' ' GLN . 30.3 mt -62.92 -42.57 99.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.185 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.3 -44.4 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.722 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.447 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.4 mt -63.11 -44.06 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.957 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.3 -45.82 92.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.802 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -60.43 -44.81 95.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.027 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.49 -41.95 99.11 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -63.7 -43.7 95.82 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.31 -48.72 79.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.882 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.73 -46.35 90.76 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.0 t -54.46 -44.93 72.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.23 -43.01 99.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.741 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.582 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.46 -49.78 76.48 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -59.14 -43.37 92.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.553 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.72 88.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.815 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.08 88.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.693 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.41 -46.2 91.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.468 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.81 -43.03 72.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 21.6 mm-40 -60.14 -41.4 92.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.794 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.08 92.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.657 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.81 -29.7 69.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.119 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.48 -4.43 57.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.377 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.38 17.73 65.94 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -99.79 78.43 2.13 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.744 0.307 . . . . 0.0 110.241 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.38 -34.23 77.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.71 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.9 76.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.078 0.466 . . . . 0.0 110.782 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.11 79.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.357 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.24 84.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -61.6 -42.2 98.52 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.69 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.8 mtt -65.56 -41.93 92.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.457 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.484 ' SD ' HD12 ' A' ' 95' ' ' ILE . 72.5 mtm -63.63 -41.66 98.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.613 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.84 -45.56 93.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.554 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.57 -39.59 94.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.205 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.7 t -61.4 -46.21 91.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.55 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 72.0 ttt180 -60.15 -42.51 95.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.306 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.38 -44.54 95.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.196 0.522 . . . . 0.0 110.582 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.52 98.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.206 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.406 HD21 ' CB ' ' A' ' 18' ' ' ALA . 94.1 mt -64.97 -40.15 94.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.665 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.35 -41.84 97.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.278 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.54 -40.05 92.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.182 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.55 -45.35 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.439 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.25 -39.57 87.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.395 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.3 mt -60.33 -45.16 94.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.328 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.82 -43.53 96.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.012 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.504 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 67.7 tp60 -59.12 -44.37 92.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.278 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -55.71 -43.59 76.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.047 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.38 -41.78 97.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.923 0.392 . . . . 0.0 110.572 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.0 mt -65.99 -38.21 87.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.85 -39.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.855 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.47 -179.511 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.904 0.383 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.512 ' O ' HG23 ' A' ' 75' ' ' VAL . 10.7 p -131.4 163.83 27.03 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.7 mt -57.76 -43.17 85.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.614 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.607 HG13 HG21 ' A' ' 8' ' ' VAL . 75.6 t -64.17 -46.62 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.874 0.369 . . . . 0.0 110.61 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.46 -41.17 98.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.044 0.45 . . . . 0.0 110.881 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 71' ' ' SER . 53.1 t -59.49 -47.0 92.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.216 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.93 -46.28 88.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.836 0.35 . . . . 0.0 110.314 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.504 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.58 -42.7 95.44 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.628 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.49 -40.94 98.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.136 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 83' ' ' THR . 47.5 tp -57.65 -45.81 85.02 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.336 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -67.37 -46.58 72.9 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.747 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.56 -45.51 93.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.849 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -62.32 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.164 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.1 p -64.24 -46.66 82.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.091 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 79.7 p -61.91 -49.67 75.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 tpp -57.74 -47.85 81.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.499 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.31 -44.63 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.107 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.98 79.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.86 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.41 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 65.1 ttt-85 -58.46 -45.2 89.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.148 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -60.53 -44.86 95.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.071 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.2 mt -64.24 -42.47 96.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.114 0.483 . . . . 0.0 109.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.582 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.4 mt -60.36 -42.1 89.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.294 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.92 -45.39 86.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.016 0.436 . . . . 0.0 109.895 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.1 -43.52 98.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.621 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.578 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 85.0 mt -60.05 -43.55 95.3 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.484 HD12 ' SD ' ' A' ' 41' ' ' MET . 88.6 mt -61.37 -43.11 96.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.32 -38.94 91.37 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 97' ' ' LEU . 36.3 mt -62.07 -41.36 98.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.904 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.2 m80 -60.34 -38.85 85.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.53 -39.28 87.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -64.07 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.219 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.0 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.396 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.601 ' O ' HG23 ' B' ' 8' ' ' VAL . 53.5 mt . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.517 0.198 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.54 -46.86 81.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.944 0.402 . . . . 0.0 110.288 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -67.29 -35.76 80.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.25 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.2 -42.29 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.305 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 4' ' ' LEU . 73.7 t -60.35 -44.21 95.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.846 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -58.83 -40.86 85.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.61 98.04 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.443 HD13 ' OE1' ' B' ' 55' ' ' GLN . 31.8 mt -63.0 -42.71 99.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.704 0.288 . . . . 0.0 110.309 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.32 -44.3 99.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.703 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.14 -44.13 99.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.938 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.23 -45.99 92.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.844 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -60.36 -44.83 95.2 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.104 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -42.09 99.46 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.136 -1.185 . . . . 0.0 110.136 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -63.53 -43.77 96.16 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.01 -49.34 77.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.839 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.37 -46.08 91.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -54.73 -44.9 73.94 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.28 -42.77 99.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.747 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.595 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.84 -49.63 76.95 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.07 -43.4 91.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.692 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.13 89.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.723 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.25 -42.81 87.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.671 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.79 -46.36 89.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.297 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.81 -43.05 72.59 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.406 ' HA ' ' NE2' ' B' ' 28' ' ' GLN . 21.3 mm-40 -60.01 -41.47 92.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.899 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.13 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.705 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.86 -29.82 69.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.053 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -82.48 -4.57 57.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.392 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.78 17.31 65.99 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.38 78.6 2.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.845 0.355 . . . . 0.0 110.307 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.63 -34.16 77.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.586 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.14 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.1 0.476 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.1 79.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.349 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.22 85.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.523 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.77 -42.56 99.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.54 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.58 98.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.664 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.36 -41.81 93.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.507 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.0 mtm -63.85 -41.57 97.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.564 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -61.92 -45.23 94.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.426 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.94 -39.66 95.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.278 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -61.23 -46.27 91.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.528 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.404 ' HB2' ' NH2' ' B' ' 88' ' ' ARG . 71.1 ttt180 -60.22 -42.39 95.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.26 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.44 -44.79 95.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.316 0.579 . . . . 0.0 110.623 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.93 98.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.106 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' B' ' 18' ' ' ALA . 93.4 mt -65.36 -40.33 93.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.75 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.26 -41.95 97.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.334 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -65.41 -40.3 93.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.114 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.54 76.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.478 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.36 -39.39 87.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.262 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.28 -45.01 94.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.312 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.45 -42.81 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.04 0.448 . . . . 0.0 110.095 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.518 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 68.0 tp60 -59.54 -44.22 93.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.326 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -55.67 -44.07 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.953 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.99 -42.08 97.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.868 0.366 . . . . 0.0 110.529 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.71 -38.37 89.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.672 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.72 -39.17 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.73 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.497 -179.589 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.845 0.355 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.539 ' O ' HG23 ' B' ' 75' ' ' VAL . 19.9 p -130.51 165.24 23.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.559 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 37.9 mt -59.6 -43.58 93.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.528 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.583 HG13 HG21 ' B' ' 8' ' ' VAL . 71.7 t -62.8 -46.18 96.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.591 -178.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.75 -40.67 97.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 71' ' ' SER . 53.2 t -59.61 -46.99 92.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.28 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.52 -46.05 89.97 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.346 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.518 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -64.38 -42.7 96.0 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.814 0.34 . . . . 0.0 110.378 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -63.45 -41.03 98.64 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.265 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 83' ' ' THR . 46.7 tp -57.77 -45.41 86.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.403 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -67.58 -46.5 72.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.703 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.88 -45.66 92.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.86 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.96 -43.06 99.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.263 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.483 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.8 p -64.33 -46.59 82.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.224 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 80.5 p -62.01 -49.57 75.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.661 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 8.7 tpp -57.74 -47.81 81.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.466 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.53 -44.39 96.46 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.091 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.66 -49.13 78.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.837 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.404 ' NH2' ' HB2' ' B' ' 45' ' ' ARG . 65.0 ttt-85 -58.3 -45.32 88.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.273 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.54 -44.84 95.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.15 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.26 -42.24 96.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.025 0.44 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.595 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.5 mt -60.45 -42.27 90.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.233 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.58 -45.81 84.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.134 0.493 . . . . 0.0 109.876 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.97 -43.47 98.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.439 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 84.4 mt -59.84 -43.69 94.47 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.507 HD12 ' SD ' ' B' ' 41' ' ' MET . 89.8 mt -61.36 -43.0 95.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.511 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -62.29 -38.81 90.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.787 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.8 mt -62.5 -41.12 98.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.801 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.9 m80 -60.27 -38.56 83.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.84 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.87 -39.78 90.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.107 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -63.75 -37.42 87.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.198 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.343 179.635 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.618 ' O ' HG23 ' C' ' 8' ' ' VAL . 53.0 mt . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.605 0.24 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.69 -47.02 79.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.319 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -67.28 -35.11 78.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.297 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.71 -42.33 94.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.337 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.618 HG23 ' O ' ' C' ' 4' ' ' LEU . 69.7 t -60.19 -44.75 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.003 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -58.17 -41.14 83.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.13 -41.96 98.23 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.456 HD13 ' OE1' ' C' ' 55' ' ' GLN . 32.0 mt -62.56 -42.94 99.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.93 0.395 . . . . 0.0 110.347 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.01 -44.29 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.733 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.1 -44.07 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.071 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.41 -45.94 92.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.768 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.1 -44.77 94.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.113 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.44 -42.42 99.04 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -63.27 -43.97 96.43 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.37 76.86 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.23 -46.3 90.26 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.0 t -54.66 -45.02 73.78 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.17 -42.63 99.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.723 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.595 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.82 -49.88 75.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.02 -43.61 91.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.515 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.78 88.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.718 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.95 89.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.622 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.28 -46.68 89.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.394 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.69 -43.07 72.16 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' GLN . . . . . 0.419 ' HA ' ' NE2' ' C' ' 28' ' ' GLN . 20.9 mm-40 -60.13 -41.11 91.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.849 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.68 92.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.813 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.37 -29.88 70.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.046 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.23 -4.07 56.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.18 17.42 67.03 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -99.45 78.94 2.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.741 0.305 . . . . 0.0 110.257 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -64.85 -34.16 77.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.538 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.06 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.035 0.445 . . . . 0.0 110.706 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.51 -34.84 79.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.417 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.15 84.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.471 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.76 -42.34 98.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.623 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.52 98.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.767 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.3 mtt -65.41 -41.77 93.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.566 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.506 ' SD ' HD12 ' C' ' 95' ' ' ILE . 72.6 mtm -63.94 -41.46 97.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.608 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -62.09 -45.72 92.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.362 . . . . 0.0 110.407 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.34 -39.55 93.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.342 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 42.7 t -61.42 -46.25 90.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.401 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 72.1 ttt180 -60.27 -42.18 94.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.3 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -60.67 -44.78 96.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.316 0.579 . . . . 0.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.19 98.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.342 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' C' ' 48' ' ' LEU . 92.7 mt -65.3 -40.13 93.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.723 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.74 -41.74 98.05 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.337 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.48 -39.91 92.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.978 0.418 . . . . 0.0 110.008 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.72 -45.3 75.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.45 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.56 -38.9 86.05 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.392 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.94 -44.67 96.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.287 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.35 -43.22 94.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.015 0.436 . . . . 0.0 110.0 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.515 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 67.6 tp60 -59.21 -44.91 92.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.292 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.57 HG21 ' CG2' ' D' ' 356' ' ' THR . 18.7 m -54.91 -44.02 73.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.144 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.28 -41.76 97.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.498 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.87 -38.46 88.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.795 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.831 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.55 ' O ' HG23 ' C' ' 75' ' ' VAL . 20.8 p . . . . . 0 C--O 1.226 -0.137 0 CA-C-O 121.109 0.481 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' C' ' 72' ' ' LEU . 19.8 mt -62.05 -42.39 99.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.708 -177.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.571 HG13 HG21 ' C' ' 8' ' ' VAL . 69.1 t -64.33 -46.47 93.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 130.135 3.374 . . . . 0.0 110.626 -178.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.7 mt -65.85 -40.14 91.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.55 HG23 ' O ' ' C' ' 71' ' ' SER . 53.1 t -60.17 -47.57 91.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.226 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.26 -46.18 89.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.313 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.515 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -64.42 -42.63 95.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.922 0.391 . . . . 0.0 110.419 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -63.71 -41.03 98.16 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.211 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.469 ' O ' HG23 ' C' ' 83' ' ' THR . 45.6 tp -57.49 -45.59 84.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.465 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -67.77 -46.39 72.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.709 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.87 -45.53 93.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.814 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -62.0 -43.2 99.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.384 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.469 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.5 p -64.28 -46.84 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.165 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -61.72 -49.76 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.607 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.5 tpp -57.53 -47.97 80.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.737 0.304 . . . . 0.0 110.464 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.41 -44.38 96.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.163 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.16 78.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.926 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.401 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 64.4 ttt-85 -58.53 -45.28 89.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.21 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.37 -44.92 95.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.877 0.37 . . . . 0.0 110.126 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.18 -42.47 96.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.21 0.529 . . . . 0.0 110.074 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.595 HD12 ' HB1' ' C' ' 22' ' ' ALA . 78.8 mt -60.41 -42.32 90.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.394 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.1 m -57.47 -45.7 84.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.067 0.46 . . . . 0.0 110.008 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.07 -43.54 98.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.487 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.565 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 84.7 mt -59.66 -43.54 93.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.347 0.594 . . . . 0.0 109.515 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 95' ' ' ILE . . . . . 0.506 HD12 ' SD ' ' C' ' 41' ' ' MET . 89.1 mt -61.37 -42.92 95.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.598 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -62.36 -38.92 91.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.724 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.36 -41.35 98.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.846 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.1 m80 -60.07 -38.65 83.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.755 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.02 -39.26 89.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.128 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -64.17 -37.1 86.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.254 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.295 179.653 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.524 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 121.89 0.852 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.07 36.65 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.33 38.58 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.035 -1.041 . . . . 0.0 109.569 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.2 149.14 28.42 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.32 18.92 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.057 -1.027 . . . . 0.0 108.401 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.85 144.32 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.7 136.65 36.94 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.181 0.991 . . . . 0.0 110.16 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.4 mt -84.99 114.37 25.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.1 p -106.9 -4.35 19.25 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.814 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.86 85.86 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 119.716 -1.865 . . . . 0.0 110.57 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -45.47 -47.76 12.72 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 124.75 3.633 . . . . 0.0 114.155 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -102.13 27.61 6.5 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 116.009 -2.276 . . . . 0.0 108.799 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.8 -141.92 48.21 Favored Glycine 0 N--CA 1.496 2.693 0 C-N-CA 117.698 -2.191 . . . . 0.0 109.604 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.7 tp -90.07 70.82 7.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.883 -1.363 . . . . 0.0 109.475 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -62.03 176.47 0.56 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 117.906 -1.518 . . . . 0.0 112.094 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.1 p -42.7 -65.05 0.52 Allowed 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -176.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.536 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.1 tmt_? -56.46 -51.58 80.0 Favored Pre-proline 0 N--CA 1.493 1.691 0 C-N-CA 120.181 -0.608 . . . . 0.0 112.446 -177.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.48 -32.2 60.04 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 120.693 0.929 . . . . 0.0 111.513 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.522 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.97 -38.8 86.73 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.221 -0.924 . . . . 0.0 109.54 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.487 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.97 -39.69 72.36 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -63.89 -39.43 94.16 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 118.015 -1.474 . . . . 0.0 109.51 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.68 -45.31 93.37 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 122.606 1.193 . . . . 0.0 108.681 -177.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.522 HG23 ' O ' ' D' ' 319' ' ' ALA . 70.1 t -62.72 -42.29 95.58 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.6 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.77 -40.33 96.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.789 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.539 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.72 80.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 109.62 177.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.0 91.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.561 -1.337 . . . . 0.0 109.456 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.33 -16.19 43.53 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.282 -0.887 . . . . 0.0 113.339 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.95 -10.59 86.13 Favored Glycine 0 N--CA 1.479 1.525 0 O-C-N 119.873 -1.767 . . . . 0.0 109.271 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.46 143.37 32.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.227 -1.749 . . . . 0.0 110.009 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.7 p -75.66 -29.99 59.28 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.243 -0.911 . . . . 0.0 112.335 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.84 158.63 10.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.841 -1.787 . . . . 0.0 112.777 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.04 130.28 35.35 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 102.79 -3.041 . . . . 0.0 102.79 171.305 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.76 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.413 0 CA-C-O 122.222 1.01 . . . . 0.0 109.307 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.88 143.25 50.94 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 123.06 1.41 . . . . 0.0 109.952 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.7 t -108.2 129.9 61.69 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.721 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 173.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.6 m -127.41 119.52 26.35 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.846 -1.159 . . . . 0.0 108.948 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.0 t -122.54 122.62 39.33 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.578 -0.701 . . . . 0.0 109.93 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.77 38.95 24.46 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.94 -1.1 . . . . 0.0 112.719 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.67 11.0 83.56 Favored Glycine 0 N--CA 1.502 3.093 0 O-C-N 119.913 -1.742 . . . . 0.0 112.521 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 67.9 m -124.8 158.53 33.14 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-O 123.833 1.777 . . . . 0.0 112.449 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.42 31.47 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 112.438 -2.164 . . . . 0.0 108.55 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.68 136.05 48.77 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 173.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.435 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.03 -6.81 48.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.715 -1.24 . . . . 0.0 110.68 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -97.4 12.88 31.65 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.633 -1.292 . . . . 0.0 109.418 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.4 t -133.06 104.2 6.41 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.202 1.001 . . . . 0.0 110.092 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.9 tp -57.27 -37.87 73.02 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.968 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.93 -51.33 70.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.614 -1.304 . . . . 0.0 113.064 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.06 -32.43 70.54 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 119.65 -1.906 . . . . 0.0 109.217 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.83 -33.73 75.85 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.941 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -67.65 -10.39 51.78 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.678 -0.639 . . . . 0.0 109.988 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.8 p -89.76 -7.75 53.75 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 118.141 -1.423 . . . . 0.0 110.95 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.36 159.29 15.32 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.213 -0.93 . . . . 0.0 110.175 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 106.937 -2.465 . . . . 0.0 106.937 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.61 47.3 1.74 Allowed 'General case' 0 C--N 1.308 -1.203 0 O-C-N 120.761 -1.435 . . . . 0.0 107.378 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.67 ' CG2' HG21 ' C' ' 56' ' ' THR . 64.7 p -81.38 172.59 13.37 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.227 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.75 140.9 57.4 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.872 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.13 78.96 Favored Glycine 0 N--CA 1.502 3.035 0 C-N-CA 120.029 -1.081 . . . . 0.0 111.317 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.39 135.93 34.08 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 120.904 -1.351 . . . . 0.0 110.651 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.54 123.68 48.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.485 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.13 160.05 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 C-N-CA 117.411 -1.716 . . . . 0.0 110.63 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.0 m -108.86 128.38 54.85 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.482 -1.386 . . . . 0.0 107.643 175.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.9 121.4 60.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.56 147.21 50.69 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -179.509 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.7 153.49 47.26 Favored 'General case' 0 C--N 1.292 -1.924 0 C-N-CA 118.496 -1.282 . . . . 0.0 109.762 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.524 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.26 110.78 6.4 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 118.522 -1.271 . . . . 0.0 107.989 178.211 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.28 40.15 Favored Glycine 0 C--N 1.297 -1.62 0 C-N-CA 117.948 -2.072 . . . . 0.0 110.331 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.69 82.92 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-N 114.399 -0.9 . . . . 0.0 112.21 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.96 36.75 3.54 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 115.884 -2.326 . . . . 0.0 108.576 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.32 -33.56 65.72 Favored 'General case' 0 N--CA 1.52 3.067 0 N-CA-C 116.885 2.18 . . . . 0.0 116.885 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.461 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.61 27.31 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 119.604 -1.935 . . . . 0.0 110.967 -176.56 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.764 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.71 97.76 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.25 -49.41 77.95 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 117.415 -1.714 . . . . 0.0 110.043 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.82 -42.23 88.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 CA-C-O 122.273 1.035 . . . . 0.0 109.345 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.89 -47.89 76.61 Favored 'General case' 0 C--N 1.287 -2.139 0 CA-C-O 122.005 0.907 . . . . 0.0 108.749 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.764 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.68 -38.43 77.03 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.718 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.436 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.7 mt -75.53 -28.67 59.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.459 -1.401 . . . . 0.0 110.896 -174.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.46 70.98 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.34 62.63 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.539 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.18 -45.33 83.79 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.554 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.485 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.31 -37.32 85.13 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.88 -1.137 . . . . 0.0 111.563 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.85 61.65 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.025 -1.047 . . . . 0.0 110.246 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.93 -32.27 45.49 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.5 -0.75 . . . . 0.0 111.341 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.13 125.46 12.34 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.305 2.002 . . . . 0.0 112.864 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.814 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 33.8 tp10 . . . . . 0 C--N 1.277 -2.553 0 CA-C-N 111.074 -2.784 . . . . 0.0 110.164 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 8' ' ' VAL . 93.8 mt . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.11 -46.45 80.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.913 0.387 . . . . 0.0 110.248 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -68.48 -35.74 77.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.291 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 58' ' ' LEU . 79.8 t -64.02 -42.52 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.414 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 4' ' ' LEU . 99.2 t -60.57 -44.33 96.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.938 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.5 -41.15 89.22 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.25 -42.16 96.41 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.02 -42.5 99.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.223 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.02 -43.79 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.708 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.487 HD11 ' HB1' ' D' ' 320' ' ' ALA . 85.4 mt -63.14 -44.24 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.99 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.538 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 51.2 t-20 -60.57 -46.4 90.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.799 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -60.8 -44.29 97.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.985 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.22 99.05 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.53 -42.92 98.4 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.46 -49.04 77.55 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -61.0 -46.28 91.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 m -54.73 -44.47 73.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.96 -42.23 99.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.73 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.64 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -58.9 -49.83 76.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.56 -42.07 91.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.621 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.29 94.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.799 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -42.89 83.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.663 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.18 -45.34 95.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.496 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -56.65 -41.72 77.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.0 -43.82 98.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.838 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.81 93.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.718 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -60.43 -30.8 69.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.145 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -79.99 -1.74 40.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.431 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.14 14.24 75.15 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.79 80.36 3.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.764 0.316 . . . . 0.0 110.252 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -64.84 -35.03 79.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.651 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -48.66 79.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.994 0.426 . . . . 0.0 110.757 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.32 80.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.354 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.84 81.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.558 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -61.44 -42.76 99.25 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.599 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.63 97.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.794 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.01 -42.02 94.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.454 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.555 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.2 mtm -64.33 -39.92 94.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.573 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.9 -45.25 94.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.932 0.396 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -62.38 -39.45 93.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.18 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.435 ' HB2' ' HE ' ' A' ' 88' ' ' ARG . 68.4 m -61.39 -45.16 95.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.533 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.32 -42.06 94.83 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.327 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.62 -43.77 97.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.191 0.52 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.16 97.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.282 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 48' ' ' LEU . 93.7 mt -65.05 -40.47 94.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.661 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -61.3 -41.76 97.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.307 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -65.03 -40.72 95.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.206 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.538 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.12 -44.8 78.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.45 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.81 -39.5 89.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.38 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.03 -44.49 97.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.354 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.43 -43.68 94.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.051 0.453 . . . . 0.0 110.015 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.532 HE22 ' CB ' ' A' ' 77' ' ' ALA . 5.4 tp-100 -59.77 -43.69 94.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.282 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -55.42 -44.14 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.076 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.43 -41.18 93.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.499 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.506 HD11 HG11 ' A' ' 7' ' ' VAL . 97.4 mt -67.18 -39.35 86.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.667 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -66.43 -40.03 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 -179.214 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 71' ' ' SER . 32.7 m . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.978 0.418 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 75' ' ' VAL . 90.8 p -135.35 170.55 15.76 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.428 ' N ' HD11 ' B' ' 72' ' ' LEU . 7.9 tt -58.12 -43.38 87.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.597 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG1' HG21 ' A' ' 8' ' ' VAL . 48.2 t -61.93 -46.3 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.866 0.365 . . . . 0.0 110.609 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.512 ' CD2' ' OE1' ' A' ' 55' ' ' GLN . 30.3 mt -61.58 -38.8 88.86 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 71' ' ' SER . 63.2 t -59.29 -47.37 90.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.186 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -59.72 -45.53 91.89 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.329 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.532 ' CB ' HE22 ' A' ' 55' ' ' GLN . . . -61.9 -44.17 97.33 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.648 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.7 -37.96 86.1 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.141 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 83' ' ' THR . 37.2 tp -57.73 -47.31 82.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.379 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.427 ' O ' ' OG1' ' A' ' 83' ' ' THR . 74.8 m80 -67.36 -47.39 70.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.34 -45.37 94.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.861 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.4 mmm -61.55 -42.84 99.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.196 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.8 p -63.01 -46.7 86.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.112 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -61.97 -48.69 79.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.49 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.75 -48.66 78.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.522 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.13 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.07 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.0 83.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.876 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.435 ' HE ' ' HB2' ' A' ' 44' ' ' SER . 69.4 ttt-85 -58.01 -46.07 85.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.114 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.5 -44.5 95.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.057 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.75 -43.13 94.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.211 0.529 . . . . 0.0 109.81 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.64 HD12 ' HB1' ' A' ' 22' ' ' ALA . 75.6 mt -60.82 -42.37 92.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.295 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.2 m -58.04 -45.59 86.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.498 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.6 mt-10 -63.33 -42.67 98.99 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.92 -42.57 94.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.555 HD12 ' SD ' ' A' ' 41' ' ' MET . 89.2 mt -60.85 -43.12 94.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.472 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -61.51 -38.5 87.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 97' ' ' LEU . 35.4 mt -62.38 -41.57 98.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.928 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -59.09 -39.99 83.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.761 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.34 -40.09 89.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.155 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.3 -36.14 83.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.25 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 43.9 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.372 179.683 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.75 ' O ' HG23 ' B' ' 8' ' ' VAL . 93.9 mt . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 120.528 0.204 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.32 -46.64 79.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.93 -35.9 79.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.239 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.502 HG11 HD11 ' B' ' 58' ' ' LEU . 79.9 t -64.08 -42.72 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 4' ' ' LEU . 98.2 t -60.49 -43.96 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.889 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.1 mtp -59.79 -41.07 90.36 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -42.24 96.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.169 -1.173 . . . . 0.0 110.169 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.07 -42.4 99.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.864 0.364 . . . . 0.0 110.388 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.14 -43.83 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.701 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.11 -43.92 99.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.935 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.532 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 52.1 t-20 -61.11 -46.1 91.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.887 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.8 t -60.75 -44.45 96.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.104 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.08 -43.44 98.77 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.146 -1.181 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.97 -43.05 99.86 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.61 -49.04 77.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.915 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 -60.75 -46.38 90.67 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -54.63 -44.57 73.29 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.92 -42.28 99.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.66 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.636 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.17 -49.74 76.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.54 -41.84 90.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.668 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.02 95.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.746 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.12 85.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.636 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.1 -45.48 94.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.33 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.56 -41.89 77.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.83 -43.63 98.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.807 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.06 95.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.743 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.16 -30.64 69.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.075 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.03 -1.91 41.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.413 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.29 13.92 75.51 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.53 80.18 3.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.797 0.332 . . . . 0.0 110.34 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -64.74 -34.95 79.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.649 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.99 -49.25 76.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.077 0.465 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.14 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.415 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.17 80.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.524 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -61.08 -43.25 99.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.555 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.86 98.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.7 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.89 -42.14 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.514 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.555 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.2 mtm -64.1 -40.16 95.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.516 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.73 -45.3 94.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.464 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.23 -39.68 93.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.255 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.439 ' HB2' ' HE ' ' B' ' 88' ' ' ARG . 67.3 m -61.2 -45.31 95.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.483 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -60.24 -41.97 94.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.295 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -60.37 -43.99 96.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.293 0.568 . . . . 0.0 110.664 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.3 97.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.185 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.01 -40.47 94.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.673 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.42 -41.59 97.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.322 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -65.13 -40.87 95.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.079 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.532 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.08 -44.81 79.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.409 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.96 -39.44 89.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.221 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.98 -44.48 97.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.391 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.6 -43.63 93.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.035 0.445 . . . . 0.0 110.038 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.515 ' OE1' ' CD2' ' B' ' 74' ' ' LEU . 5.4 tp-100 -59.65 -43.51 93.86 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.213 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -55.83 -44.02 77.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.971 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.56 -40.76 92.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.844 0.354 . . . . 0.0 110.536 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.502 HD11 HG11 ' B' ' 7' ' ' VAL . 97.5 mt -67.63 -38.98 84.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.86 -40.17 85.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.728 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.577 -179.395 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.413 HG23 ' N ' ' B' ' 71' ' ' SER . 33.1 m . . . . . 0 N--CA 1.462 0.149 0 CA-C-O 120.854 0.359 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.485 ' O ' HG23 ' B' ' 75' ' ' VAL . 99.7 p -135.24 171.23 14.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.546 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 72' ' ' LEU . 7.6 tt -59.87 -43.26 94.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.583 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.466 ' CG1' HG21 ' B' ' 8' ' ' VAL . 47.6 t -61.25 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.58 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.515 ' CD2' ' OE1' ' B' ' 55' ' ' GLN . 32.5 mt -61.58 -38.67 88.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.08 0.467 . . . . 0.0 110.936 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 71' ' ' SER . 61.4 t -59.2 -47.13 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.305 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.44 -44.76 95.48 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.257 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.514 ' CB ' HE22 ' B' ' 55' ' ' GLN . . . -62.22 -44.5 96.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.915 0.388 . . . . 0.0 110.414 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -61.47 -37.98 85.57 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.231 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 83' ' ' THR . 36.8 tp -57.79 -47.01 83.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.415 ' O ' ' OG1' ' B' ' 83' ' ' THR . 75.2 m80 -67.58 -47.25 70.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.721 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.52 -45.25 94.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.49 -42.88 99.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.211 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.511 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.1 p -63.31 -45.88 89.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.178 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.56 -48.55 78.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 67.0 ttp -58.38 -47.81 82.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.437 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.97 -43.5 98.71 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.13 82.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.907 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.439 ' HE ' ' HB2' ' B' ' 44' ' ' SER . 69.4 ttt-85 -58.04 -45.91 86.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.246 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.62 -44.38 96.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.149 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.72 -42.64 95.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.092 0.472 . . . . 0.0 110.01 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.636 HD12 ' HB1' ' B' ' 22' ' ' ALA . 75.3 mt -61.45 -42.53 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.175 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 83.3 m -57.82 -45.52 86.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.049 0.452 . . . . 0.0 109.852 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.497 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -63.42 -42.59 98.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.498 HD13 ' OE1' ' A' ' 93' ' ' GLU . 76.9 mt -59.95 -42.69 94.62 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.555 HD12 ' SD ' ' B' ' 41' ' ' MET . 88.1 mt -60.8 -43.16 94.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.488 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.37 -38.5 87.22 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.7 mt -62.44 -41.35 98.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.82 179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -59.3 -40.15 85.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.782 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.18 -40.28 89.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.151 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.24 -36.03 82.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.232 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 46.1 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 179.591 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.728 ' O ' HG23 ' C' ' 8' ' ' VAL . 93.8 mt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.661 0.267 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.04 -46.67 80.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 0.0 110.333 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -68.01 -35.63 78.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.303 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.495 HG11 HD11 ' C' ' 58' ' ' LEU . 78.3 t -64.24 -42.55 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.353 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.728 HG23 ' O ' ' C' ' 4' ' ' LEU . 99.4 t -60.67 -44.09 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.004 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -59.61 -41.2 89.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -42.19 96.28 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 11' ' ' LEU . 83.7 mt -62.87 -42.62 99.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.379 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.97 -44.01 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.697 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.77 -43.93 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.09 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.524 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 51.4 t-20 -61.12 -46.31 91.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.757 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.2 t -60.64 -44.45 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.118 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -43.26 98.84 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -49.77 75.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -60.36 -46.49 89.76 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -54.63 -44.6 73.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.65 -42.37 99.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.739 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.645 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.19 -49.9 76.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.31 -41.87 90.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.522 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.4 96.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.676 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.94 83.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.609 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.14 -45.76 93.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.407 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -56.41 -41.76 76.85 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.97 -43.74 98.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.904 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.04 93.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.825 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -60.47 -30.57 69.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.08 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -80.07 -1.9 41.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.431 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.17 14.35 74.78 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -97.03 80.72 2.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.834 0.35 . . . . 0.0 110.266 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -65.25 -34.96 79.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.515 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.92 77.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.677 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.06 79.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.405 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -47.56 82.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.476 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -61.68 -43.13 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.647 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.99 99.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.78 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.06 -42.35 94.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.555 ' SD ' HD12 ' C' ' 95' ' ' ILE . 72.6 mtm -63.82 -40.2 96.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.67 -45.52 93.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.914 0.388 . . . . 0.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -62.11 -39.69 93.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.333 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' SER . . . . . 0.421 ' HB2' ' HE ' ' C' ' 88' ' ' ARG . 68.7 m -61.03 -45.22 95.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.537 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.402 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 74.3 ttt180 -60.37 -42.0 94.91 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.373 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.49 -43.4 97.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.332 0.587 . . . . 0.0 110.517 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.39 96.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.354 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.8 -40.73 95.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.734 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.19 -41.68 97.25 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.317 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -65.22 -40.66 94.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.026 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.524 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.23 -44.53 79.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.433 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.34 -39.03 89.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.321 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 42.3 mt -61.42 -44.65 96.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.12 -43.75 95.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.056 0.455 . . . . 0.0 109.97 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.544 ' OE1' ' CD2' ' C' ' 74' ' ' LEU . 5.4 tp-100 -59.76 -43.42 94.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.276 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.67 HG21 ' CG2' ' D' ' 356' ' ' THR . 20.0 m -55.97 -43.92 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.118 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.3 -41.32 93.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.544 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.495 HD11 HG11 ' C' ' 7' ' ' VAL . 96.7 mt -67.11 -39.23 86.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.75 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.846 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.497 ' O ' HG23 ' C' ' 75' ' ' VAL . 99.7 p . . . . . 0 C--O 1.226 -0.163 0 CA-C-O 121.095 0.474 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.422 HD11 ' N ' ' B' ' 72' ' ' LEU . 6.2 tt -60.57 -43.55 97.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.697 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.408 ' CG1' HG21 ' C' ' 8' ' ' VAL . 46.0 t -62.17 -45.96 97.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 130.097 3.359 . . . . 0.0 110.61 -178.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.544 ' CD2' ' OE1' ' C' ' 55' ' ' GLN . 37.1 mt -63.8 -38.24 90.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.031 0.443 . . . . 0.0 110.981 177.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.497 HG23 ' O ' ' C' ' 71' ' ' SER . 63.2 t -59.65 -47.91 89.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.16 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.18 -44.72 94.84 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.301 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.531 ' CB ' HE22 ' C' ' 55' ' ' GLN . . . -62.52 -44.18 96.98 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.881 0.372 . . . . 0.0 110.431 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -61.7 -37.76 85.32 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.232 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' C' ' 83' ' ' THR . 35.7 tp -58.07 -47.27 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.435 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.433 ' O ' ' OG1' ' C' ' 83' ' ' THR . 74.8 m80 -67.23 -47.35 71.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.733 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.43 -45.1 95.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.831 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.81 -42.27 98.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.402 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.0 p -63.69 -46.02 87.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.209 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -62.57 -48.48 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.604 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.8 ttp -58.1 -48.06 81.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.536 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.65 -43.54 98.66 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.131 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.03 82.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.931 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.421 ' HE ' ' HB2' ' C' ' 44' ' ' SER . 69.2 ttt-85 -58.17 -45.9 86.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.253 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.28 -44.57 95.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.177 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.89 -42.84 94.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.174 0.511 . . . . 0.0 110.035 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.645 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.0 mt -61.03 -42.54 93.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.379 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 78.9 m -57.8 -45.64 85.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.003 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.27 -42.69 99.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.499 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.497 HD13 ' OE1' ' B' ' 93' ' ' GLU . 77.5 mt -59.73 -42.6 93.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 95' ' ' ILE . . . . . 0.555 HD12 ' SD ' ' C' ' 41' ' ' MET . 87.2 mt -60.95 -43.11 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.604 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.14 -38.72 87.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.744 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.37 -41.26 98.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.907 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -59.34 -40.23 85.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.713 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.29 -39.88 88.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.5 -36.08 83.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.172 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 45.4 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.289 179.714 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.532 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 121.93 0.872 . . . . 0.0 108.926 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.463 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.68 142.98 36.89 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.36 38.7 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.961 -1.087 . . . . 0.0 109.59 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.16 149.17 28.47 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.32 18.95 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.017 -1.052 . . . . 0.0 108.408 178.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.86 144.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.7 136.57 37.05 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 122.139 0.971 . . . . 0.0 110.154 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.2 mt -84.87 114.36 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.94 -4.3 19.25 Favored 'General case' 0 C--N 1.265 -3.1 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.812 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.79 85.77 Favored Pre-proline 0 N--CA 1.499 1.996 0 O-C-N 119.657 -1.902 . . . . 0.0 110.616 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.52 -47.64 12.98 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 124.798 3.665 . . . . 0.0 114.138 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -102.16 27.57 6.55 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 116.055 -2.258 . . . . 0.0 108.721 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.55 -136.66 50.38 Favored Glycine 0 N--CA 1.497 2.75 0 C-N-CA 117.731 -2.176 . . . . 0.0 109.533 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.524 HD12 HD13 ' D' ' 355' ' ' LEU . 3.6 mt -91.54 70.5 5.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.902 -1.352 . . . . 0.0 109.455 -176.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 315' ' ' HIS . . . . . 0.742 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.7 OUTLIER -60.63 176.21 0.4 Allowed 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 117.927 -1.509 . . . . 0.0 112.093 -179.315 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 3.6 p -42.89 -65.61 0.46 Allowed 'General case' 0 N--CA 1.504 2.269 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.48 ' N ' ' OG1' ' D' ' 316' ' ' THR . 4.4 tmm_? -58.03 -50.58 87.33 Favored Pre-proline 0 N--CA 1.493 1.685 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.517 -177.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.2 -32.31 63.0 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 120.854 1.036 . . . . 0.0 111.456 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.48 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.91 -38.83 86.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.244 -0.91 . . . . 0.0 109.52 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.497 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.96 -39.7 72.39 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.91 -39.45 94.19 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.497 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.68 -45.33 93.26 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.579 1.181 . . . . 0.0 108.669 -177.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.48 HG23 ' O ' ' D' ' 319' ' ' ALA . 58.0 t -62.64 -42.27 95.38 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.672 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.83 -40.32 96.33 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.184 -0.947 . . . . 0.0 109.743 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.85 -39.63 79.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.812 . . . . 0.0 109.574 178.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.03 91.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.623 -1.298 . . . . 0.0 109.481 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.24 -16.31 43.88 Favored 'General case' 0 N--CA 1.51 2.543 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.83 -10.6 86.0 Favored Glycine 0 N--CA 1.48 1.611 0 O-C-N 119.958 -1.714 . . . . 0.0 109.322 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.43 143.31 32.87 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.198 -1.766 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.61 -30.05 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.305 -0.872 . . . . 0.0 112.363 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.8 158.56 10.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.804 -1.81 . . . . 0.0 112.794 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.575 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.0 130.31 35.39 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 102.8 -3.037 . . . . 0.0 102.8 171.316 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.69 136.58 60.39 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.396 0 O-C-N 121.07 -1.018 . . . . 0.0 109.298 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -124.94 143.14 51.03 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 123.052 1.406 . . . . 0.0 110.013 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.07 129.91 61.48 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.727 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 173.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.421 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.43 119.58 26.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.899 -1.126 . . . . 0.0 108.929 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.52 122.61 39.32 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.557 -0.714 . . . . 0.0 109.907 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.66 38.99 24.2 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.819 -1.176 . . . . 0.0 112.799 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.7 10.98 83.54 Favored Glycine 0 N--CA 1.501 3.015 0 O-C-N 119.917 -1.739 . . . . 0.0 112.536 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.73 158.52 33.05 Favored 'General case' 0 C--N 1.276 -2.615 0 CA-C-O 123.772 1.748 . . . . 0.0 112.444 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.37 Favored 'General case' 0 C--N 1.279 -2.467 0 CA-C-N 112.449 -2.159 . . . . 0.0 108.629 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.63 135.95 48.78 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.92 -6.78 47.51 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.751 -1.218 . . . . 0.0 110.73 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.52 13.0 31.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.634 -1.291 . . . . 0.0 109.331 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 67.8 m -133.13 104.22 6.4 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.249 1.023 . . . . 0.0 110.108 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.2 -38.03 73.08 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.921 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -58.87 -51.36 70.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.571 -1.331 . . . . 0.0 113.016 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.41 70.47 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 119.543 -1.973 . . . . 0.0 109.26 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.81 -33.75 75.86 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.944 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -67.66 -10.47 52.52 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.649 -0.657 . . . . 0.0 109.935 -177.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.7 p -89.84 -7.6 53.92 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 118.075 -1.45 . . . . 0.0 110.963 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.4 159.27 15.33 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.192 -0.943 . . . . 0.0 110.164 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.87 2.96 Favored Glycine 0 N--CA 1.485 1.943 0 N-CA-C 106.943 -2.463 . . . . 0.0 106.943 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 355' ' ' LEU . . . . . 0.524 HD13 HD12 ' D' ' 314' ' ' LEU . 90.5 mt -119.64 47.44 1.72 Allowed 'General case' 0 C--N 1.309 -1.194 0 O-C-N 120.708 -1.466 . . . . 0.0 107.429 -178.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.729 HG22 HG21 ' C' ' 56' ' ' THR . 6.5 p -81.47 172.53 13.4 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.183 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.69 140.97 57.31 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.869 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.22 79.07 Favored Glycine 0 N--CA 1.5 2.947 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.416 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.44 135.91 34.07 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.876 -1.367 . . . . 0.0 110.633 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.47 123.69 48.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.16 160.14 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 C-N-CA 117.343 -1.743 . . . . 0.0 110.661 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.421 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.8 m -108.97 128.34 54.86 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.585 -1.322 . . . . 0.0 107.621 175.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.82 121.39 60.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 176.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.56 147.24 50.69 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.57 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.46 47.2 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.752 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.532 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.84 6.44 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 118.508 -1.277 . . . . 0.0 108.011 178.183 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.21 -170.28 40.11 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 117.977 -2.059 . . . . 0.0 110.337 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.6 83.03 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 114.356 -0.922 . . . . 0.0 112.129 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 115.878 -2.329 . . . . 0.0 108.616 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -33.52 65.73 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -174.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.452 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.61 27.34 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.549 -1.969 . . . . 0.0 110.962 -176.536 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.762 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.55 -40.73 97.77 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 178.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.42 77.92 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 117.436 -1.706 . . . . 0.0 110.051 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.9 -42.21 88.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 122.258 1.028 . . . . 0.0 109.26 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.88 -47.98 76.41 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.965 0.888 . . . . 0.0 108.65 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.762 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.78 -38.23 76.63 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.764 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.6 mt -75.66 -28.54 58.78 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.394 -1.441 . . . . 0.0 110.92 -174.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.48 70.64 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.29 62.81 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.19 84.3 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.503 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.45 -37.27 85.26 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.9 -1.125 . . . . 0.0 111.551 -177.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.75 61.45 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.076 -1.015 . . . . 0.0 110.293 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.81 -32.38 46.3 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.478 -0.764 . . . . 0.0 111.337 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 125.5 12.24 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 124.299 2.0 . . . . 0.0 112.911 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.812 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 76.5 mt-10 . . . . . 0 C--N 1.277 -2.569 0 CA-C-N 111.148 -2.751 . . . . 0.0 110.077 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 8' ' ' VAL . 64.4 mt . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -64.63 -47.01 80.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.88 0.371 . . . . 0.0 110.282 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -67.42 -36.23 80.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.247 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.432 HG11 HD11 ' A' ' 58' ' ' LEU . 79.7 t -63.92 -42.5 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.408 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 4' ' ' LEU . 70.6 t -61.09 -44.87 99.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.952 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -59.31 -42.06 90.48 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.44 -42.07 97.75 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.2 mt -63.45 -43.01 98.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.869 0.366 . . . . 0.0 110.185 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.16 -44.71 99.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.75 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.497 HD11 ' HB1' ' D' ' 320' ' ' ALA . 85.9 mt -63.17 -44.28 99.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.941 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -61.45 -45.01 96.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.818 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.432 ' OG ' ' OG ' ' A' ' 84' ' ' SER . 11.9 t -60.7 -45.21 95.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.031 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -42.16 99.24 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -63.62 -45.36 90.63 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.44 -48.76 79.67 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.828 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.0 -45.65 93.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.84 -44.66 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.65 -41.54 97.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.737 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.599 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -56.96 -48.57 78.03 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -59.9 -41.05 90.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.592 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.46 94.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.749 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.79 87.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.703 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.11 -44.49 97.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.443 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.4 -42.21 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.22 0.533 . . . . 0.0 109.597 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.14 -41.42 96.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.788 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.31 93.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.677 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.02 -29.36 70.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.196 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.37 -4.98 53.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.448 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.98 80.41 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -95.18 80.95 3.61 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.8 0.333 . . . . 0.0 110.238 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -65.37 -35.4 80.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.662 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -51.52 67.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.032 0.444 . . . . 0.0 110.821 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.65 81.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.306 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.67 -49.27 77.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.58 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.94 -41.35 96.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.67 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.03 94.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.4 mmm -65.06 -41.94 94.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.503 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.554 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 99.5 mmm -63.75 -39.84 95.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.612 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -62.38 -44.89 95.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.0 0.429 . . . . 0.0 110.522 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.53 -40.33 96.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.236 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.3 t -61.68 -45.72 92.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.577 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.715 ' NH2' HH12 ' A' ' 88' ' ' ARG . 62.7 ttm-85 -60.57 -42.38 96.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.342 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.2 mtt -61.7 -42.76 99.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.236 0.541 . . . . 0.0 110.61 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.84 96.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.208 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' A' ' 18' ' ' ALA . 95.3 mt -65.68 -39.79 91.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.676 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -61.27 -41.48 97.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.263 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.0 -40.06 94.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.127 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.08 79.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.511 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -61.97 -38.48 88.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.376 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -61.27 -43.11 99.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.324 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.5 t -65.52 -43.53 94.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.129 0.49 . . . . 0.0 110.071 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.633 HE22 ' CG1' ' A' ' 59' ' ' ILE . 8.2 tm0? -60.97 -42.64 98.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.21 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -56.9 -43.41 81.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.041 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.34 -38.39 89.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.54 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.432 HD11 HG11 ' A' ' 7' ' ' VAL . 97.8 mt -63.86 -28.44 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.633 ' CG1' HE22 ' A' ' 55' ' ' GLN . 71.8 mt -90.17 -31.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.472 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 120.976 0.417 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.556 ' O ' HG23 ' A' ' 75' ' ' VAL . 96.6 p -130.76 161.92 30.65 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 72' ' ' LEU . 35.5 mt -57.37 -43.94 83.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.65 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.635 HG13 HG21 ' A' ' 8' ' ' VAL . 53.8 t -64.26 -47.66 88.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 120.925 0.393 . . . . 0.0 110.585 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.5 -41.68 98.53 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 71' ' ' SER . 54.0 t -58.93 -46.86 91.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.211 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.38 -45.19 92.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.787 0.327 . . . . 0.0 110.307 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.63 92.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.801 0.334 . . . . 0.0 110.656 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.96 -40.16 96.86 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.169 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 83' ' ' THR . 42.9 tp -57.31 -47.06 82.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.416 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -67.29 -46.95 72.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.708 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.73 -46.39 89.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.756 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.57 -44.19 97.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.244 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.8 p -62.91 -47.56 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.05 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.432 ' OG ' ' OG ' ' A' ' 15' ' ' SER . 66.0 m -61.39 -48.37 81.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.88 -48.34 80.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.55 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.36 -45.14 95.61 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.098 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -47.43 85.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.808 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.715 HH12 ' NH2' ' A' ' 45' ' ' ARG . 1.9 tmt_? -58.48 -45.68 88.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.082 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.37 -43.18 99.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.077 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.89 -42.99 97.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.114 0.483 . . . . 0.0 109.859 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.599 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.1 mt -60.95 -42.26 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.282 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.554 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 18.4 m -57.11 -46.32 82.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.005 0.431 . . . . 0.0 109.847 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.479 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.5 mt-10 -63.28 -42.78 99.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.557 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 79.8 mt -60.08 -43.25 95.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.1 -42.96 95.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.47 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.33 -38.96 88.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.757 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 97' ' ' LEU . 34.1 mt -62.37 -41.38 98.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.814 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.549 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 70.4 m80 -60.31 -39.7 87.94 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.22 -39.4 92.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.225 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.88 -38.78 92.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.255 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.417 -179.89 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.637 ' O ' HG23 ' B' ' 8' ' ' VAL . 65.3 mt . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.562 0.22 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -64.4 -47.21 80.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.91 0.386 . . . . 0.0 110.366 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -67.13 -36.19 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.211 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.405 HG11 HD11 ' B' ' 58' ' ' LEU . 79.6 t -64.13 -42.44 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.358 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 4' ' ' LEU . 71.0 t -61.11 -44.95 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.872 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mtp -59.49 -41.91 90.92 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.23 -42.37 97.92 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' B' ' 11' ' ' LEU . 34.6 mt -63.46 -42.84 98.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.308 . . . . 0.0 110.342 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.21 -44.85 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.763 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.03 -44.43 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.926 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -61.3 -45.24 95.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.854 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' SER . . . . . 0.421 ' OG ' ' OG ' ' B' ' 84' ' ' SER . 11.6 t -60.22 -45.33 93.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.109 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.47 -42.21 99.06 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.41 -45.41 91.12 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.53 -48.43 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.945 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.25 -45.68 93.52 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.71 -44.78 81.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.61 -41.71 97.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.741 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.6 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -56.78 -48.58 77.57 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -59.87 -41.26 91.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.685 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.58 93.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.758 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.73 87.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.664 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.21 -44.75 96.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.31 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -55.21 -42.11 72.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.31 -41.54 97.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.89 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.32 92.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.703 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.71 -29.62 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.062 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -79.49 -4.85 53.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.88 11.8 80.86 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -94.92 80.56 3.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 110.341 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.32 -35.21 80.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.592 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -51.41 67.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.025 0.44 . . . . 0.0 110.786 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.37 -35.25 79.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.394 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.61 75.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.528 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.64 -41.48 95.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.538 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.53 96.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.582 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.4 mmm -64.73 -42.04 95.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 99.6 mmm -63.43 -40.47 97.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.533 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -61.75 -45.46 93.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.494 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.16 -40.39 97.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.338 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.0 t -61.41 -45.91 92.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.491 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.716 ' NH2' HH12 ' B' ' 88' ' ' ARG . 62.7 ttm-85 -60.39 -42.66 96.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.273 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.44 -42.98 99.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.301 0.572 . . . . 0.0 110.66 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.27 96.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.136 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' B' ' 18' ' ' ALA . 95.3 mt -65.2 -39.89 93.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.724 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -61.17 -41.49 96.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.393 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.99 -40.09 94.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.156 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.97 79.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.454 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -62.29 -38.29 88.81 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.339 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.38 -43.32 99.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.327 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.23 -43.68 95.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.012 0.434 . . . . 0.0 109.921 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.625 HE22 ' CG1' ' B' ' 59' ' ' ILE . 8.1 tm0? -60.87 -43.04 98.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.232 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -56.66 -43.31 80.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.935 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.38 -38.72 90.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.883 0.373 . . . . 0.0 110.557 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.405 HD11 HG11 ' B' ' 7' ' ' VAL . 97.6 mt -63.6 -28.49 69.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.625 ' CG1' HE22 ' B' ' 55' ' ' GLN . 71.9 mt -90.04 -31.75 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.855 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.865 0.365 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.598 ' O ' HG23 ' B' ' 75' ' ' VAL . 95.6 p -130.43 164.22 25.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.566 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 72' ' ' LEU . 38.0 mt -60.08 -43.53 95.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.531 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.629 HG13 HG21 ' B' ' 8' ' ' VAL . 54.9 t -63.59 -46.82 93.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 -178.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.18 -40.91 97.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.598 HG23 ' O ' ' B' ' 71' ' ' SER . 53.4 t -59.44 -47.18 91.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.261 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.49 -44.57 93.05 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.345 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.5 90.74 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.854 0.359 . . . . 0.0 110.329 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.91 -39.84 95.76 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.497 ' O ' HG23 ' B' ' 83' ' ' THR . 43.7 tp -57.56 -46.93 83.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.394 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -67.46 -46.78 72.04 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.764 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.93 -46.25 90.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.47 -44.41 97.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.203 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.497 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.1 p -62.86 -47.3 83.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.149 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.421 ' OG ' ' OG ' ' B' ' 15' ' ' SER . 67.3 m -61.55 -48.29 81.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.651 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -57.91 -48.3 80.29 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.445 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.47 -45.21 95.21 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.131 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.53 84.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.897 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.716 HH12 ' NH2' ' B' ' 45' ' ' ARG . 1.9 tmt_? -58.17 -45.92 86.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.218 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.418 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -61.29 -43.26 99.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.12 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.7 -43.02 97.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.055 0.455 . . . . 0.0 110.011 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.6 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.3 mt -60.99 -42.26 92.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.206 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 17.8 m -57.05 -46.13 82.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.005 0.431 . . . . 0.0 109.886 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.471 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.1 mt-10 -63.52 -42.97 98.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.536 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.53 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 81.1 mt -59.64 -43.54 93.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.77 -43.15 94.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.518 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.27 -38.92 88.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.743 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' B' ' 97' ' ' LEU . 33.1 mt -62.6 -41.11 98.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.835 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.0 m80 -60.35 -39.72 88.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.32 -39.66 93.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.087 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.7 -39.1 93.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.143 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.38 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.659 ' O ' HG23 ' C' ' 8' ' ' VAL . 64.6 mt . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.59 0.233 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.53 -47.27 79.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.409 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.88 -36.6 82.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.294 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.411 HG11 HD11 ' C' ' 58' ' ' LEU . 79.7 t -63.85 -42.61 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.328 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.659 HG23 ' O ' ' C' ' 4' ' ' LEU . 76.4 t -60.95 -44.98 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.126 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.9 mtp -59.3 -42.01 90.31 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.22 -42.26 97.98 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' C' ' 11' ' ' LEU . 34.9 mt -63.48 -42.88 98.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 110.388 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.23 -44.55 99.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.648 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.21 -44.45 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.002 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -61.2 -45.26 95.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.8 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' SER . . . . . 0.418 ' OG ' ' OG ' ' C' ' 84' ' ' SER . 11.7 t -60.38 -45.12 94.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.145 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.4 -42.58 99.05 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.106 -1.197 . . . . 0.0 110.106 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.33 -45.12 92.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.82 79.98 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.92 -45.79 93.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.57 -45.15 81.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.04 -41.88 97.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.688 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.599 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -56.9 -48.44 78.2 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.418 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.8 m-85 -60.07 -41.12 91.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.591 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.54 93.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.742 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.81 87.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.567 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.05 -44.62 97.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.43 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -55.57 -41.95 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.39 -41.04 96.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.927 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.21 93.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.754 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.4 -29.18 70.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.039 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.6 -4.74 52.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.528 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.96 12.09 80.24 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.18 80.79 3.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.756 0.312 . . . . 0.0 110.247 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.51 -35.19 80.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.535 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.28 -51.45 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.059 0.457 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.28 79.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.402 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.44 76.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.507 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.7 -41.71 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.582 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.21 94.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.778 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.03 -42.17 94.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.551 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 99.4 mmm -63.38 -40.22 96.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.61 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -61.89 -45.17 94.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.895 0.379 . . . . 0.0 110.46 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.31 -40.38 97.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 39.0 t -61.7 -45.91 91.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.562 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.713 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.7 ttm-85 -60.53 -41.98 95.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.303 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.9 -43.15 99.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.336 0.588 . . . . 0.0 110.554 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.46 98.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.31 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.13 -39.73 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.776 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -61.54 -41.17 96.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.358 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.17 -40.54 94.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.99 0.424 . . . . 0.0 110.056 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.35 -45.42 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.442 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -61.66 -38.6 88.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.45 -43.01 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.324 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 77.7 t -65.37 -43.45 94.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.033 0.444 . . . . 0.0 109.985 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.615 HE22 ' CG1' ' C' ' 59' ' ' ILE . 7.8 tm0? -60.91 -43.26 98.79 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.291 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.729 HG21 HG22 ' D' ' 356' ' ' THR . 17.8 m -56.43 -43.24 79.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.125 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.65 -38.36 90.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.883 0.373 . . . . 0.0 110.482 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.411 HD11 HG11 ' C' ' 7' ' ' VAL . 97.6 mt -63.74 -28.47 69.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.805 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.615 ' CG1' HE22 ' C' ' 55' ' ' GLN . 71.6 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.617 ' O ' HG23 ' C' ' 75' ' ' VAL . 95.8 p . . . . . 0 C--O 1.227 -0.083 0 CA-C-O 121.065 0.46 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' C' ' 72' ' ' LEU . 20.2 mt -61.98 -42.69 99.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.706 -177.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.576 HG13 HG21 ' C' ' 8' ' ' VAL . 55.8 t -64.85 -47.3 88.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 130.072 3.349 . . . . 0.0 110.589 -178.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.09 -40.94 91.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.059 0.456 . . . . 0.0 110.926 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.617 HG23 ' O ' ' C' ' 71' ' ' SER . 54.2 t -59.54 -47.48 90.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.226 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.54 -44.71 93.14 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.305 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.34 -44.72 90.6 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.913 0.387 . . . . 0.0 110.456 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.84 -39.99 96.05 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.285 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' C' ' 83' ' ' THR . 43.2 tp -57.21 -47.13 82.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.528 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 45.2 m170 -67.23 -47.05 71.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.767 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 55.6 mt -62.0 -45.96 91.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.82 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.67 -44.04 97.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.372 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.3 p -63.25 -47.18 83.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.179 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 84' ' ' SER . . . . . 0.418 ' OG ' ' OG ' ' C' ' 15' ' ' SER . 66.6 m -61.76 -48.07 82.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -58.12 -48.25 80.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.711 0.291 . . . . 0.0 110.462 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.54 -45.17 95.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.168 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.87 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.908 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.713 HH12 ' NH2' ' C' ' 45' ' ' ARG . 1.9 tmt_? -57.88 -45.89 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.238 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.25 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.134 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.78 -42.73 97.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.174 0.512 . . . . 0.0 110.009 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.599 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.9 mt -61.12 -42.35 92.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.408 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.551 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 17.9 m -56.86 -46.05 82.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.048 0.451 . . . . 0.0 109.939 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.76 -43.01 97.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.557 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.6 mt -59.5 -43.32 93.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.506 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.09 -42.98 95.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.578 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -61.3 -38.84 88.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.738 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 97' ' ' LEU . 33.2 mt -62.46 -41.43 98.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.851 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 70.4 m80 -60.24 -39.99 88.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.716 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -62.06 -39.36 92.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.127 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.72 -39.18 93.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.192 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.5 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.415 -179.842 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 121.845 0.831 . . . . 0.0 109.002 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.84 143.07 36.61 Favored 'General case' 0 C--N 1.288 -2.109 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.08 156.27 38.39 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.067 -1.02 . . . . 0.0 109.552 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.24 28.58 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.28 19.01 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.087 -1.008 . . . . 0.0 108.439 178.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.31 19.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.66 136.58 36.99 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.117 0.96 . . . . 0.0 110.186 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.87 114.3 24.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.9 -4.28 19.33 Favored 'General case' 0 C--N 1.264 -3.125 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.803 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.59 141.77 85.54 Favored Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 119.765 -1.835 . . . . 0.0 110.618 178.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.45 -47.65 12.82 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 124.748 3.632 . . . . 0.0 114.146 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.542 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.1 m-20 -102.13 27.54 6.56 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 116.055 -2.258 . . . . 0.0 108.811 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.2 -142.25 47.71 Favored Glycine 0 N--CA 1.497 2.722 0 C-N-CA 117.611 -2.233 . . . . 0.0 109.618 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' D' ' 314' ' ' LEU . 13.1 tp -90.64 75.07 6.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.972 -1.311 . . . . 0.0 109.491 -177.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -68.72 175.63 3.45 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 117.908 -1.517 . . . . 0.0 112.102 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.457 HG23 ' H ' ' D' ' 316' ' ' THR . 12.7 p -39.35 -66.19 0.31 Allowed 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 117.337 2.347 . . . . 0.0 117.337 -177.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.447 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 1.8 tmm_? -56.56 -52.27 74.71 Favored Pre-proline 0 N--CA 1.492 1.668 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.565 -177.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.36 -32.25 61.24 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 C-N-CA 120.753 0.969 . . . . 0.0 111.492 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.504 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.95 -38.91 86.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.237 -0.914 . . . . 0.0 109.449 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.502 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.93 -39.71 72.5 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.91 -39.48 94.27 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 118.002 -1.479 . . . . 0.0 109.459 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.71 -45.27 93.52 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 122.596 1.188 . . . . 0.0 108.715 -177.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.611 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.5 t -62.69 -42.25 95.4 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.276 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.651 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.559 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.3 mttt -63.86 -40.28 96.2 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.181 -0.949 . . . . 0.0 109.812 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.77 -39.73 80.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.474 -0.766 . . . . 0.0 109.528 177.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.0 91.7 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.627 -1.296 . . . . 0.0 109.399 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 327' ' ' LYS . . . . . 0.611 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.8 mttp -61.31 -16.23 43.65 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.237 -0.915 . . . . 0.0 113.388 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.58 86.12 Favored Glycine 0 N--CA 1.479 1.54 0 O-C-N 119.895 -1.753 . . . . 0.0 109.247 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.405 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.5 143.35 32.83 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.183 -1.775 . . . . 0.0 110.004 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.2 p -75.6 -30.14 59.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.238 -0.914 . . . . 0.0 112.284 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.69 158.59 9.94 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.769 -1.832 . . . . 0.0 112.85 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.575 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.03 130.32 35.39 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 102.736 -3.061 . . . . 0.0 102.736 171.314 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.74 136.58 60.38 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 CA-C-O 122.191 0.996 . . . . 0.0 109.299 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -124.95 143.23 50.99 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 123.104 1.431 . . . . 0.0 109.963 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.11 129.95 61.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.731 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 173.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.46 119.54 26.34 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.812 -1.18 . . . . 0.0 108.942 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.58 122.63 39.32 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.902 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.5 t30 51.7 39.04 24.44 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.808 -1.182 . . . . 0.0 112.751 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.56 11.06 83.59 Favored Glycine 0 N--CA 1.502 3.065 0 O-C-N 119.903 -1.748 . . . . 0.0 112.55 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.79 158.54 33.09 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-O 123.799 1.761 . . . . 0.0 112.408 -175.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.38 Favored 'General case' 0 C--N 1.279 -2.48 0 CA-C-N 112.484 -2.144 . . . . 0.0 108.613 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.61 135.97 48.84 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 173.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.02 -6.73 47.43 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.758 -1.214 . . . . 0.0 110.686 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.48 12.98 31.47 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.622 -1.299 . . . . 0.0 109.392 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 68.4 m -133.05 104.14 6.38 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 122.114 0.959 . . . . 0.0 110.169 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 347' ' ' LEU . . . . . 0.456 HD22 ' CE ' ' A' ' 9' ' ' MET . 53.7 tp -57.24 -37.95 73.05 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.944 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -58.85 -51.33 70.46 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.595 -1.316 . . . . 0.0 113.044 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.44 70.51 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 119.522 -1.986 . . . . 0.0 109.204 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.81 -33.69 75.75 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.951 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -67.62 -10.54 53.07 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.647 -0.658 . . . . 0.0 109.907 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 3.2 p -89.73 -7.81 53.68 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 118.123 -1.431 . . . . 0.0 110.926 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.4 mt -93.34 159.25 15.34 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.194 -0.941 . . . . 0.0 110.202 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.87 2.97 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 106.845 -2.502 . . . . 0.0 106.845 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 91.1 mt -119.64 47.37 1.73 Allowed 'General case' 0 C--N 1.309 -1.173 0 O-C-N 120.702 -1.47 . . . . 0.0 107.459 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.943 HG22 HG21 ' C' ' 56' ' ' THR . 3.7 p -81.41 172.49 13.48 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.224 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -60.66 140.91 57.28 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.872 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.45 -3.22 78.9 Favored Glycine 0 N--CA 1.5 2.947 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.358 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.4 135.88 34.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.909 -1.348 . . . . 0.0 110.609 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.7 t -96.39 123.72 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 106.376 -1.712 . . . . 0.0 106.376 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.491 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.22 160.03 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 C-N-CA 117.385 -1.726 . . . . 0.0 110.625 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.6 m -108.85 128.43 54.9 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.484 -1.385 . . . . 0.0 107.569 175.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.87 121.37 60.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.24 50.7 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.5 47.23 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 118.489 -1.284 . . . . 0.0 109.732 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.3 110.84 6.42 Favored 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 118.455 -1.298 . . . . 0.0 107.972 178.217 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.32 40.12 Favored Glycine 0 C--N 1.296 -1.678 0 C-N-CA 118.02 -2.038 . . . . 0.0 110.368 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.42 -40.5 82.64 Favored 'General case' 0 C--N 1.277 -2.545 0 CA-C-N 114.406 -0.897 . . . . 0.0 112.229 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.05 36.73 3.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 118.99 -2.319 . . . . 0.0 108.553 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.57 65.83 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -174.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.466 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.65 27.64 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 119.512 -1.993 . . . . 0.0 110.979 -176.548 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.773 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.7 97.65 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.5 77.62 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 117.458 -1.697 . . . . 0.0 110.056 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.87 -42.14 88.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 CA-C-O 122.122 0.963 . . . . 0.0 109.265 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.93 -47.82 76.84 Favored 'General case' 0 C--N 1.287 -2.138 0 CA-C-O 122.096 0.951 . . . . 0.0 108.785 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.773 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.83 -38.35 76.49 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.669 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.8 mt -75.61 -28.57 58.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.355 -1.466 . . . . 0.0 110.923 -174.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.49 70.78 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 N-CA-C 106.336 -1.728 . . . . 0.0 106.336 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.9 -49.19 63.33 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.24 84.45 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.474 177.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.491 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.33 -37.35 85.25 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.858 -1.151 . . . . 0.0 111.56 -177.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.99 -31.76 61.51 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.007 -1.058 . . . . 0.0 110.242 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.9 -32.3 45.69 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.47 -0.769 . . . . 0.0 111.337 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.0 125.45 12.1 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 124.282 1.992 . . . . 0.0 112.952 178.613 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.803 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.6 mt-10 . . . . . 0 C--N 1.276 -2.61 0 CA-C-N 111.16 -2.745 . . . . 0.0 110.097 -177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.687 ' O ' HG23 ' A' ' 8' ' ' VAL . 58.0 mt . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.19 -46.1 82.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.922 0.391 . . . . 0.0 110.322 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.39 -34.9 76.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.261 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.5 HG11 HD11 ' A' ' 58' ' ' LEU . 94.0 t -64.25 -42.58 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.384 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 4' ' ' LEU . 86.4 t -61.45 -43.44 96.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.943 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.456 ' CE ' HD22 ' D' ' 347' ' ' LEU . 91.3 mtp -58.38 -42.16 86.44 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.03 -41.96 98.37 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.558 HD21 ' HB ' ' A' ' 54' ' ' VAL . 79.9 mt -62.92 -43.06 99.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.845 0.355 . . . . 0.0 110.201 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.6 mt -62.84 -44.45 99.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.742 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.559 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 90.5 mt -63.47 -44.49 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.966 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 46.8 t-20 -61.43 -45.65 93.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.812 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -60.65 -44.69 96.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.009 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.29 -43.22 98.77 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.7 -43.67 95.93 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.82 -49.77 75.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.827 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.27 -46.81 88.52 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -54.61 -44.21 72.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.47 -42.26 98.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.774 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.655 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.5 -50.31 74.41 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.87 -42.24 93.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.577 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.53 92.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.815 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.37 -42.42 86.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.646 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.26 -45.18 95.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.455 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.53 -42.34 74.45 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.46 -41.65 94.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.848 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.31 93.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.771 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.54 -29.39 69.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.114 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -79.89 -4.85 54.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.485 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.29 74.77 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.84 80.36 3.02 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.759 0.314 . . . . 0.0 110.277 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -64.24 -35.01 79.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.69 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.12 80.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.981 0.419 . . . . 0.0 110.698 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.54 81.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.11 80.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.56 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -62.38 -42.36 99.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.569 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.74 99.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.793 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.8 mmm -64.93 -40.45 95.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.545 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.66 -39.94 95.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.65 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.9 -44.63 96.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.986 0.422 . . . . 0.0 110.593 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.69 -40.35 96.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.175 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -60.56 -46.1 91.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.494 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 62.1 ttp180 -60.16 -42.03 94.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.308 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 61.3 mtt -61.82 -42.61 99.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.2 93.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.205 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.62 -40.29 95.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.693 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.91 -41.88 96.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.298 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.17 -39.95 93.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.214 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.452 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.69 -45.38 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.504 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -61.74 -38.29 87.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.416 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -60.62 -43.78 97.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.558 ' HB ' HD21 ' A' ' 11' ' ' LEU . 74.5 t -65.55 -43.11 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.469 . . . . 0.0 110.022 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.47 ' OE1' HD13 ' A' ' 11' ' ' LEU . 45.6 tp60 -60.44 -43.99 96.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.267 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -57.08 -42.81 81.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.974 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.42 -39.96 89.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.575 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.5 HD11 HG11 ' A' ' 7' ' ' VAL . 96.6 mt -69.68 -40.56 76.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.62 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.42 -40.51 84.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.819 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.503 -179.298 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 71' ' ' SER . 16.9 m . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 121.009 0.433 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 70' ' ' VAL . 70.6 p -135.89 171.61 14.21 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.32 -44.63 84.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.6 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.508 ' CG1' HG21 ' A' ' 8' ' ' VAL . 66.1 t -62.39 -45.04 99.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.878 0.37 . . . . 0.0 110.559 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.06 -39.5 90.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.055 0.455 . . . . 0.0 110.867 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 71' ' ' SER . 56.8 t -59.94 -47.23 92.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.194 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -57.92 -46.46 84.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.41 98.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.684 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -62.96 -39.69 95.43 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.141 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 83' ' ' THR . 39.7 tp -57.42 -46.77 83.16 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.359 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -67.38 -47.29 70.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.733 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.81 -45.35 94.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.767 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.98 -43.58 98.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.223 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.9 p -63.06 -47.67 81.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.11 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.9 t -61.8 -49.29 76.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.42 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -58.34 -48.03 81.85 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.519 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.02 -44.36 96.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.036 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.24 82.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.769 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 76.6 ttt-85 -58.47 -44.13 89.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.132 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.49 ' O ' ' OE2' ' A' ' 93' ' ' GLU . 78.1 mm-40 -60.28 -44.98 94.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.089 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.64 -42.14 95.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.093 0.473 . . . . 0.0 109.871 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.655 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 78.3 mt -60.52 -41.91 89.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.317 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 m -57.8 -45.7 85.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.461 . . . . 0.0 109.939 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' OE2' ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -63.32 -43.16 98.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.586 179.038 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 40.3 mt -59.4 -43.9 92.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.65 -43.19 96.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.514 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.81 -41.45 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 97' ' ' LEU . 37.0 mt -62.55 -42.58 99.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.854 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 60.9 m80 -60.62 -41.52 95.01 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.05 -38.49 91.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.171 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -64.42 -40.14 95.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.218 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.382 179.61 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.701 ' O ' HG23 ' B' ' 8' ' ' VAL . 58.1 mt . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.577 0.227 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.32 -46.09 81.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.326 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.11 -34.98 77.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.123 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.509 HG11 HD11 ' B' ' 58' ' ' LEU . 93.4 t -64.59 -42.35 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.355 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.701 HG23 ' O ' ' B' ' 4' ' ' LEU . 84.9 t -61.76 -43.07 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.3 mtp -58.64 -42.16 87.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.19 -41.84 98.18 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.547 HD21 ' HB ' ' B' ' 54' ' ' VAL . 80.5 mt -62.9 -43.04 99.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.717 0.294 . . . . 0.0 110.347 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.99 -44.53 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.665 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.38 -44.58 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.921 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.466 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 46.5 t-20 -61.13 -46.0 92.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.824 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.44 -44.64 95.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.145 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.33 -43.42 98.41 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.24 -43.88 96.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.75 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.905 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.19 -46.95 87.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m -54.37 -44.09 71.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.77 -42.7 97.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.642 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.65 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -59.03 -50.44 74.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.7 -42.43 93.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.662 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.72 91.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.773 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.57 86.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.671 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.23 -45.27 95.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.265 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.66 -42.18 74.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.217 0.532 . . . . 0.0 109.582 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.63 -41.54 95.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.931 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.32 93.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.763 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.54 -29.38 69.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.072 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -80.05 -4.73 53.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.377 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.1 12.94 75.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.38 80.42 3.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.762 0.315 . . . . 0.0 110.292 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -64.48 -34.89 79.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.582 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.92 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.032 0.444 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.6 81.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.389 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.5 79.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.577 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.93 -42.67 99.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.569 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.74 99.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.708 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.19 -40.63 94.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.26 -40.27 96.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.588 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.81 -44.5 96.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.438 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.6 -40.27 96.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.307 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -60.84 -45.82 93.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.56 -41.81 95.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.275 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.74 -42.59 99.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.275 0.56 . . . . 0.0 110.625 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.98 93.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.18 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.99 -40.29 94.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.713 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.68 -41.8 95.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.41 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.27 -40.27 93.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.128 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.466 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.45 -45.31 80.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.466 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.55 -38.81 88.81 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.254 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.42 -43.25 96.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.389 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.547 ' HB ' HD21 ' B' ' 11' ' ' LEU . 74.8 t -66.17 -43.19 92.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.075 0.464 . . . . 0.0 109.962 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.461 ' OE1' HD13 ' B' ' 11' ' ' LEU . 45.5 tp60 -60.44 -43.97 96.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m -56.69 -43.19 80.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.976 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.27 -40.05 89.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.895 0.378 . . . . 0.0 110.552 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.509 HD11 HG11 ' B' ' 7' ' ' VAL . 96.5 mt -69.66 -40.13 76.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.736 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.78 -40.54 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.764 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.567 -179.371 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.428 HG23 ' N ' ' B' ' 71' ' ' SER . 16.4 m . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 120.826 0.346 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.428 ' N ' HG23 ' B' ' 70' ' ' VAL . 47.0 p -135.86 172.61 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tt -59.5 -44.47 93.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.562 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.503 ' CG1' HG21 ' B' ' 8' ' ' VAL . 64.5 t -61.68 -44.14 98.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.64 -178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.47 -39.14 89.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.095 0.474 . . . . 0.0 110.989 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 71' ' ' SER . 53.5 t -60.1 -47.67 91.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.273 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.55 -46.18 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.75 99.29 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.824 0.345 . . . . 0.0 110.412 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -62.66 -39.43 93.88 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.282 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.499 ' O ' HG23 ' B' ' 83' ' ' THR . 39.3 tp -57.62 -46.74 83.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.416 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -67.34 -47.38 70.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.719 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.7 -45.5 93.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.813 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.92 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.262 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.499 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.1 p -63.35 -47.06 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.23 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 5.3 t -62.25 -49.19 76.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.608 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -58.57 -47.72 83.32 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.777 0.323 . . . . 0.0 110.506 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.21 -44.33 96.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.17 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.76 -46.8 84.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.823 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -58.77 -44.26 90.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.214 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' B' ' 93' ' ' GLU . 77.3 mm-40 -59.98 -45.38 92.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.167 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.11 -42.26 96.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.139 0.495 . . . . 0.0 110.061 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.65 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 79.0 mt -60.5 -41.92 89.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.308 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 18.8 m -57.75 -45.82 85.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.048 0.451 . . . . 0.0 109.797 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.476 ' OE2' ' O ' ' B' ' 89' ' ' GLU . 0.8 OUTLIER -63.15 -43.27 98.77 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.159 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.548 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 41.3 mt -59.47 -44.06 93.1 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.54 -43.23 96.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.526 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.67 -41.63 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' B' ' 97' ' ' LEU . 35.7 mt -62.53 -42.69 99.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.804 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.548 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 60.7 m80 -60.19 -41.81 93.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.052 0.453 . . . . 0.0 109.793 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.92 -38.48 91.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.153 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -64.47 -40.16 95.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.169 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.389 179.523 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.695 ' O ' HG23 ' C' ' 8' ' ' VAL . 57.7 mt . . . . . 0 CA--C 1.522 -0.127 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.0 -46.21 82.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.833 0.349 . . . . 0.0 110.386 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.22 -34.62 76.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.292 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.509 HG11 HD11 ' C' ' 58' ' ' LEU . 90.9 t -64.68 -42.55 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.389 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.695 HG23 ' O ' ' C' ' 4' ' ' LEU . 84.3 t -61.53 -43.04 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.069 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.7 mtp -58.7 -42.3 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.86 -41.81 98.65 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.572 HD21 ' HB ' ' C' ' 54' ' ' VAL . 80.3 mt -62.91 -43.24 99.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 0.0 110.353 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.97 -44.23 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.646 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.31 -44.53 99.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.447 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 46.4 t-20 -61.58 -45.76 92.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.784 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -60.56 -44.69 95.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.15 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.1 99.13 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.72 -43.74 95.65 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.76 75.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.799 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.41 -46.79 88.75 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 48.9 m -54.63 -44.32 73.08 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.3 -42.42 99.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.737 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.653 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.63 -50.14 75.02 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.81 -42.68 94.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.508 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.41 91.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.705 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.34 87.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.574 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.38 -44.95 96.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.387 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.05 -41.97 75.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.534 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.57 -41.56 94.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.96 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.55 93.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.852 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.3 -29.65 70.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.068 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -79.62 -4.73 52.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.471 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.23 74.93 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.73 80.86 3.1 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.736 0.303 . . . . 0.0 110.327 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -64.71 -34.78 79.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.539 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.39 79.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.443 . . . . 0.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.18 80.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.415 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -48.14 79.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.492 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -61.99 -42.73 99.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.551 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.05 -42.69 99.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.776 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.22 -40.56 94.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 91.6 mmm -63.26 -40.48 97.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.625 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.47 -44.78 96.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.934 0.397 . . . . 0.0 110.456 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.67 -40.12 96.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -60.62 -46.07 91.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.491 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.26 -42.0 94.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.335 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.77 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.307 0.575 . . . . 0.0 110.575 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.93 95.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.3 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' C' ' 48' ' ' LEU . 92.3 mt -65.09 -40.46 94.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.731 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.78 -41.91 96.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.331 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.13 -40.04 93.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.024 0.44 . . . . 0.0 110.031 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.447 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.58 -45.67 78.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.411 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.542 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 60.1 t-80 -61.32 -38.63 87.57 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.364 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.62 -43.37 97.55 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.323 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' VAL . . . . . 0.572 ' HB ' HD21 ' C' ' 11' ' ' LEU . 74.4 t -65.81 -43.42 93.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.024 0.44 . . . . 0.0 109.932 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.474 ' OE1' HD13 ' C' ' 11' ' ' LEU . 45.4 tp60 -60.28 -44.01 95.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.253 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.943 HG21 HG22 ' D' ' 356' ' ' THR . 19.8 m -56.93 -42.68 80.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.185 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.7 -39.63 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.542 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.509 HD11 HG11 ' C' ' 7' ' ' VAL . 96.8 mt -69.87 -40.23 75.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.826 179.725 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.439 ' O ' HG23 ' C' ' 75' ' ' VAL . 37.9 p . . . . . 0 C--O 1.226 -0.177 0 CA-C-O 121.059 0.457 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.96 -45.12 93.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.699 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.488 HG13 HG21 ' C' ' 8' ' ' VAL . 65.2 t -62.2 -44.71 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 129.996 3.319 . . . . 0.0 110.615 -178.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.11 -39.11 93.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.099 0.476 . . . . 0.0 111.073 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.439 HG23 ' O ' ' C' ' 71' ' ' SER . 56.1 t -60.28 -47.97 90.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.201 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.95 -45.84 86.03 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.292 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.46 99.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.885 0.374 . . . . 0.0 110.399 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -62.97 -39.23 94.07 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.234 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.497 ' O ' HG23 ' C' ' 83' ' ' THR . 39.2 tp -57.77 -46.85 83.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.474 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -67.32 -47.32 70.88 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.762 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.67 -45.71 92.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.888 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -61.47 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.385 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.497 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.6 p -63.43 -47.44 81.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.192 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -61.46 -49.65 75.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -58.2 -48.21 81.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.499 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.78 -44.42 96.92 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.159 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -46.94 83.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.864 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -58.68 -44.5 90.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.191 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 89' ' ' GLU . . . . . 0.506 ' O ' ' OE2' ' C' ' 93' ' ' GLU . 77.6 mm-40 -59.64 -45.44 91.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.908 0.385 . . . . 0.0 110.194 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.31 -42.35 96.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 109.999 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.653 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 77.2 mt -60.18 -42.16 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.417 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 18.2 m -57.52 -45.68 84.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.551 -0.459 . . . . 0.0 109.944 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 93' ' ' GLU . . . . . 0.506 ' OE2' ' O ' ' C' ' 89' ' ' GLU . 0.7 OUTLIER -63.34 -42.86 98.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.496 179.213 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.568 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 41.6 mt -59.84 -43.92 94.36 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.52 -43.47 96.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.592 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -60.26 -41.68 93.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.723 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' C' ' 97' ' ' LEU . 36.8 mt -62.38 -42.65 99.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.942 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.568 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 60.5 m80 -60.68 -41.4 95.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.1 -38.63 91.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.093 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -64.15 -40.45 96.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.233 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.314 179.724 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.527 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 121.923 0.868 . . . . 0.0 108.945 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.79 143.03 36.7 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.24 38.4 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.031 -1.043 . . . . 0.0 109.576 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.36 18.92 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.97 -1.082 . . . . 0.0 108.414 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.89 144.33 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.66 136.57 37.0 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 122.138 0.971 . . . . 0.0 110.113 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.41 25.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.95 -4.4 19.14 Favored 'General case' 0 C--N 1.264 -3.146 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.815 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.44 141.79 85.95 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 119.678 -1.889 . . . . 0.0 110.587 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -45.48 -47.68 12.83 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 124.795 3.663 . . . . 0.0 114.131 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -102.15 27.55 6.56 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 116.117 -2.233 . . . . 0.0 108.71 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.08 -145.46 43.99 Favored Glycine 0 N--CA 1.496 2.685 0 C-N-CA 117.67 -2.205 . . . . 0.0 109.645 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.3 tp -88.62 79.45 7.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.899 -1.353 . . . . 0.0 109.56 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 315' ' ' HIS . . . . . 0.43 ' CE1' ' H ' ' D' ' 317' ' ' ARG . 2.6 p80 -75.76 177.24 7.03 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 117.876 -1.53 . . . . 0.0 112.136 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 43.1 p -36.36 -68.65 0.13 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.536 ' NH2' ' OG ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -57.03 -52.44 74.08 Favored Pre-proline 0 N--CA 1.492 1.665 0 C-N-CA 120.136 -0.626 . . . . 0.0 112.538 -176.743 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.26 -32.18 62.42 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 CA-C-N 119.448 0.839 . . . . 0.0 111.571 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.468 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.03 -38.82 86.61 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.426 -0.91 . . . . 0.0 109.47 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.66 72.61 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -64.03 -39.3 93.78 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.964 -1.495 . . . . 0.0 109.48 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.78 -45.3 93.29 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.664 1.221 . . . . 0.0 108.693 -177.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.468 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.2 t -62.61 -42.29 95.41 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.63 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.93 -40.2 95.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.356 -0.84 . . . . 0.0 109.771 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.534 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.78 -39.75 80.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.394 -0.816 . . . . 0.0 109.543 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.04 91.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.612 -1.305 . . . . 0.0 109.384 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.3 -16.22 43.5 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.59 86.12 Favored Glycine 0 N--CA 1.479 1.528 0 O-C-N 119.88 -1.763 . . . . 0.0 109.262 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.4 143.34 32.83 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.289 -1.713 . . . . 0.0 110.036 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.2 p -75.64 -29.99 59.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.329 -0.857 . . . . 0.0 112.342 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.82 158.54 10.32 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 119.873 -1.767 . . . . 0.0 112.843 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.581 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.28 35.4 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 102.835 -3.024 . . . . 0.0 102.835 171.301 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.75 136.52 60.56 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 CA-C-O 122.257 1.027 . . . . 0.0 109.3 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.91 143.18 50.99 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-O 123.144 1.449 . . . . 0.0 109.983 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.443 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.1 129.88 61.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 173.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.39 119.66 26.69 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.882 -1.136 . . . . 0.0 108.967 -178.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.62 122.58 39.17 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.524 -0.735 . . . . 0.0 109.884 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.3 t30 51.69 38.99 24.29 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.976 -1.078 . . . . 0.0 112.763 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 11.06 83.46 Favored Glycine 0 N--CA 1.502 3.039 0 O-C-N 119.941 -1.724 . . . . 0.0 112.469 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.9 136.28 54.56 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 105.21 -2.144 . . . . 0.0 105.21 177.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.78 158.51 33.16 Favored 'General case' 0 C--N 1.276 -2.593 0 CA-C-O 123.825 1.774 . . . . 0.0 112.442 -176.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.65 151.41 31.44 Favored 'General case' 0 C--N 1.28 -2.451 0 CA-C-N 112.417 -2.174 . . . . 0.0 108.527 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.56 136.0 48.94 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 173.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.443 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.03 -6.78 47.8 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.734 -1.229 . . . . 0.0 110.688 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.49 12.97 31.53 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.686 -1.259 . . . . 0.0 109.375 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 69.5 m -133.06 104.2 6.41 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 122.189 0.995 . . . . 0.0 110.191 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.27 -37.88 73.04 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.934 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 348' ' ' PHE . . . . . 0.463 ' CE2' ' OE2' ' A' ' 5' ' ' GLU . 57.6 m-85 -58.86 -51.43 70.06 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.571 -1.33 . . . . 0.0 113.054 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.02 -32.46 70.63 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 119.569 -1.957 . . . . 0.0 109.224 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.76 -33.77 75.86 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.96 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -67.64 -10.44 52.17 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.653 -0.654 . . . . 0.0 109.951 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.6 p -89.75 -7.69 53.92 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 118.071 -1.451 . . . . 0.0 110.937 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.43 159.27 15.32 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.242 -0.911 . . . . 0.0 110.11 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.88 2.97 Favored Glycine 0 N--CA 1.486 2.004 0 N-CA-C 106.901 -2.479 . . . . 0.0 106.901 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.0 mt -119.54 47.29 1.74 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.728 -1.454 . . . . 0.0 107.4 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.851 HG22 HG21 ' C' ' 56' ' ' THR . 5.0 p -81.45 172.61 13.31 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.22 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.74 140.94 57.38 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.837 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.21 79.03 Favored Glycine 0 N--CA 1.5 2.958 0 C-N-CA 120.014 -1.089 . . . . 0.0 111.395 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.48 135.91 34.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.955 -1.321 . . . . 0.0 110.664 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.5 123.73 48.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.7 m -112.17 160.06 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 117.419 -1.712 . . . . 0.0 110.65 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.85 128.37 54.85 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.487 -1.383 . . . . 0.0 107.592 175.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.84 121.41 60.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.34 50.71 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -179.591 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.83 153.38 47.05 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 118.496 -1.282 . . . . 0.0 109.712 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.527 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.76 6.42 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 118.593 -1.243 . . . . 0.0 108.084 178.19 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.31 40.17 Favored Glycine 0 C--N 1.296 -1.673 0 C-N-CA 118.067 -2.016 . . . . 0.0 110.404 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.41 -40.65 83.03 Favored 'General case' 0 C--N 1.276 -2.606 0 CA-C-N 114.392 -0.904 . . . . 0.0 112.146 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.95 36.72 3.56 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 115.921 -2.312 . . . . 0.0 108.667 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.52 65.82 Favored 'General case' 0 N--CA 1.521 3.076 0 N-CA-C 116.824 2.157 . . . . 0.0 116.824 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.445 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.65 27.45 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 119.578 -1.951 . . . . 0.0 110.953 -176.546 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.76 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.54 -40.66 97.6 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 178.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.59 77.29 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 117.551 -1.659 . . . . 0.0 109.972 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.85 -42.18 88.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-O 122.176 0.989 . . . . 0.0 109.286 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.86 -47.91 76.46 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-O 122.006 0.908 . . . . 0.0 108.776 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.76 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.74 -38.32 76.8 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.736 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.441 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.61 -28.69 58.96 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.426 -1.421 . . . . 0.0 110.835 -174.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.39 -39.49 71.72 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.454 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.2 63.24 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.534 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.19 84.36 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.98 -1.088 . . . . 0.0 110.547 177.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.36 85.43 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.968 -1.083 . . . . 0.0 111.54 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.83 61.65 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.041 -1.037 . . . . 0.0 110.213 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.29 45.8 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.511 -0.743 . . . . 0.0 111.333 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.51 12.39 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 124.308 2.004 . . . . 0.0 112.923 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.815 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 14.2 pt-20 . . . . . 0 C--N 1.276 -2.594 0 CA-C-N 111.165 -2.743 . . . . 0.0 110.118 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.1 mt . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.463 ' OE2' ' CE2' ' D' ' 348' ' ' PHE . 81.9 tt0 -63.73 -45.85 88.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.89 0.376 . . . . 0.0 110.273 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.39 -36.89 85.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.229 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.7 t -63.47 -42.97 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.43 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 4' ' ' LEU . 94.5 t -60.39 -46.42 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.931 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mtp -59.1 -41.0 87.08 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.54 -41.58 97.83 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.41 HD21 ' HB ' ' A' ' 54' ' ' VAL . 31.8 mt -63.77 -43.27 96.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.235 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.46 -44.77 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.786 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.52 -44.17 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.99 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.515 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 51.2 t-20 -61.73 -45.72 92.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.789 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 76.6 p -60.55 -44.29 96.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.977 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.35 98.39 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -62.91 -42.01 99.64 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.99 79.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.859 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -60.5 -47.21 87.15 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.536 ' OG ' ' NH2' ' D' ' 317' ' ' ARG . 49.9 m -53.67 -44.6 69.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.23 -42.26 99.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.654 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.21 -49.95 75.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -60.16 -42.55 95.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.588 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.45 89.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.733 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.57 84.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.727 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.22 -44.77 96.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.451 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.96 -42.38 76.15 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.74 -41.45 95.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.746 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.46 93.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.743 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.81 -28.76 69.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.169 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -80.72 -5.06 56.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.449 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.66 13.61 75.2 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.59 79.88 3.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.793 0.33 . . . . 0.0 110.3 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -65.28 -35.39 80.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.7 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -50.48 70.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.085 0.469 . . . . 0.0 110.783 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.71 80.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.43 79.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.599 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.29 -42.92 96.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.595 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.8 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.01 -41.3 95.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.465 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 99.0 mmm -63.44 -39.93 95.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.67 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.84 -44.49 95.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.994 0.426 . . . . 0.0 110.544 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.94 -40.93 97.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.277 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.5 t -61.64 -45.6 93.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -61.15 -42.25 98.21 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.313 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.94 -43.69 98.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.252 0.549 . . . . 0.0 110.627 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.4 99.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.218 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.06 -39.97 90.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.669 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.09 -42.58 94.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.238 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.05 -40.3 94.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.224 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.515 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.77 -45.06 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.479 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.63 -39.01 89.78 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.41 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.2 mt -60.57 -43.56 97.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.41 ' HB ' HD21 ' A' ' 11' ' ' LEU . 74.4 t -66.1 -43.5 92.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.076 0.465 . . . . 0.0 110.063 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 56' ' ' THR . 0.8 OUTLIER -61.42 -43.71 98.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.236 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.598 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 19.1 m -59.93 -42.2 93.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -59.6 -34.44 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.489 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.514 HD22 HD22 ' A' ' 4' ' ' LEU . 92.6 mt -70.92 -60.66 2.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.533 HD12 ' NE2' ' A' ' 55' ' ' GLN . 73.8 mt -56.81 -35.72 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.859 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.524 -179.657 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 120.95 0.405 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.59 ' O ' HG23 ' A' ' 75' ' ' VAL . 85.6 p -134.21 167.58 20.43 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -56.93 -44.96 83.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.701 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.584 HG13 HG21 ' A' ' 8' ' ' VAL . 77.4 t -63.98 -48.18 87.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.865 0.364 . . . . 0.0 110.562 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.468 HD22 ' CG1' ' A' ' 59' ' ' ILE . 90.0 mt -63.27 -40.77 98.33 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 71' ' ' SER . 53.6 t -59.22 -47.66 89.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.094 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.89 -44.38 94.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.822 0.344 . . . . 0.0 110.328 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.67 -45.46 86.61 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.676 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.46 -40.57 97.06 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.181 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 83' ' ' THR . 46.8 tp -57.15 -46.82 82.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -67.49 -46.89 71.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.737 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.62 -45.33 94.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.806 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.98 -43.53 98.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.214 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.0 p -63.06 -47.02 84.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.089 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 m -61.64 -48.63 79.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.464 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.98 -48.31 80.38 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.676 0.274 . . . . 0.0 110.519 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.49 -44.79 96.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.0 110.064 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.08 -47.59 82.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.825 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -58.95 -44.78 91.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.082 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.89 -43.79 98.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.042 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.91 -42.53 94.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.127 0.489 . . . . 0.0 109.904 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.612 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.0 mt -60.47 -41.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.279 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 16.0 m -57.09 -45.75 83.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.026 0.441 . . . . 0.0 109.845 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.75 -43.67 95.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.664 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.521 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.5 mt -59.66 -44.04 93.73 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.8 mt -61.61 -43.56 97.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.525 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -61.0 -39.78 91.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.125 0.488 . . . . 0.0 109.772 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 97' ' ' LEU . 35.0 mt -62.33 -41.47 98.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.822 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 61.7 m80 -60.4 -40.01 89.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.54 -39.56 94.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.252 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.04 -39.23 93.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.19 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.387 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.603 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.1 mt . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.665 0.269 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.72 -45.66 88.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 110.297 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.48 -36.83 85.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.241 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.81 -42.68 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.603 HG23 ' O ' ' B' ' 4' ' ' LEU . 96.4 t -60.78 -46.2 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.881 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.0 mtp -59.04 -41.28 87.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -41.75 97.77 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.435 HD21 ' HB ' ' B' ' 54' ' ' VAL . 32.2 mt -63.38 -43.5 97.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 0.0 110.37 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.45 -44.68 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.679 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.54 -44.33 98.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.926 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.2 t-20 -61.47 -45.66 93.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.833 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 79.5 p -60.73 -44.22 96.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.129 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.12 98.83 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.034 -1.227 . . . . 0.0 110.034 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.13 -42.41 99.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.32 -49.08 78.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.924 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -60.55 -46.94 88.33 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.7 m -54.04 -44.28 70.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.39 -42.71 98.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.726 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.626 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.0 -49.96 75.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.78 -42.8 94.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.688 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.19 -41.81 89.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.671 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.14 83.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.578 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.86 -45.0 96.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.323 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.92 -42.06 75.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.8 -41.52 95.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.873 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.35 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.769 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.61 -29.12 69.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.029 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -80.55 -5.1 56.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.76 13.5 75.17 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.24 79.29 3.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.778 0.323 . . . . 0.0 110.323 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -65.18 -35.57 81.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.605 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -50.82 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.986 0.422 . . . . 0.0 110.782 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.99 81.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.419 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.5 79.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.39 -42.7 96.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.561 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.59 92.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.72 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.18 -41.28 94.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.561 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.9 mmm -63.34 -40.43 97.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.595 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.45 -44.73 95.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.43 -41.51 98.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.31 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -61.17 -46.33 90.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.489 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.44 -42.45 96.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.287 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.85 -43.72 97.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.24 99.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.184 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.98 -39.99 90.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.766 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 53.2 t-20 -60.24 -42.38 95.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.334 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.27 -40.09 93.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.117 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.528 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.99 -45.04 78.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.461 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.59 -38.82 88.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.278 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.85 -43.38 98.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.344 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.435 ' HB ' HD21 ' B' ' 11' ' ' LEU . 79.8 t -65.98 -43.56 92.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.038 0.447 . . . . 0.0 110.057 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.602 ' OE1' ' N ' ' B' ' 56' ' ' THR . 0.8 OUTLIER -61.51 -43.64 98.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.248 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.602 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 19.6 m -60.09 -42.16 94.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.925 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -59.7 -34.23 72.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 0.0 110.523 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.513 HD22 HD22 ' B' ' 4' ' ' LEU . 92.3 mt -71.07 -60.64 2.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.544 HD12 ' NE2' ' B' ' 55' ' ' GLN . 72.5 mt -56.85 -35.76 47.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.817 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.598 -179.796 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.867 0.365 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.618 ' O ' HG23 ' B' ' 75' ' ' VAL . 93.5 p -133.86 169.39 17.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.557 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.53 -44.85 93.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.552 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.573 HG13 HG21 ' B' ' 8' ' ' VAL . 79.0 t -62.86 -47.13 94.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.629 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.464 HD22 ' CG1' ' B' ' 59' ' ' ILE . 90.8 mt -63.86 -40.42 96.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.618 HG23 ' O ' ' B' ' 71' ' ' SER . 54.6 t -59.51 -47.36 91.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.275 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.48 -44.1 96.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.366 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.09 88.11 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.838 0.352 . . . . 0.0 110.408 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.77 -40.31 96.9 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.229 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.5 ' O ' HG23 ' B' ' 83' ' ' THR . 47.1 tp -57.55 -46.51 83.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.373 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -67.87 -46.81 70.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.725 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.68 -45.3 94.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.862 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.77 -43.6 98.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.26 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.5 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.8 p -63.06 -46.96 85.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.157 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 66.3 m -61.55 -48.73 79.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.83 -48.33 80.06 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.52 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.7 -44.28 97.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.095 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.75 82.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.918 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -58.69 -44.78 90.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.234 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -61.66 -44.41 97.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.181 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 73.9 mt -64.38 -42.55 96.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.071 0.462 . . . . 0.0 110.014 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.626 HD12 ' HB1' ' B' ' 22' ' ' ALA . 76.9 mt -60.47 -41.88 89.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.255 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.561 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 15.2 m -57.22 -45.85 83.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.085 0.469 . . . . 0.0 109.853 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.34 -44.19 95.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.511 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.517 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.5 mt -59.48 -44.03 93.15 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.59 -43.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.498 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.26 -40.04 92.58 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.3 mt -62.15 -41.68 98.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.843 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 61.6 m80 -59.92 -40.12 87.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.749 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.53 -39.66 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.146 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.17 -39.23 93.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.173 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.36 179.75 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.592 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.9 mt . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 120.594 0.235 . . . . 0.0 110.448 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -63.66 -45.69 88.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.823 0.344 . . . . 0.0 110.417 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.3 -37.03 85.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.302 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.39 -42.87 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.315 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.592 HG23 ' O ' ' C' ' 4' ' ' LEU . 94.8 t -60.6 -46.35 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.953 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -58.84 -41.41 86.87 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -42.12 98.15 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' C' ' 11' ' ' LEU . 32.6 mt -63.23 -43.43 98.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.383 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.46 -44.52 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.676 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.58 -44.57 98.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.079 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.517 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 49.5 t-20 -61.27 -45.86 92.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.758 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.0 p -60.38 -44.46 95.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.139 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.12 -43.26 98.97 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.0 -42.18 99.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.8 -48.83 79.9 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -60.82 -46.63 89.81 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -54.3 -44.35 71.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.45 -42.01 98.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.71 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.622 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.43 -50.27 74.6 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.71 -42.68 93.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.55 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.68 -41.26 90.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.76 84.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.622 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.15 -44.97 96.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.413 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -55.96 -42.09 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.77 -41.76 96.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.902 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.24 92.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.837 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.69 -29.23 69.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.067 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.21 -5.36 55.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.495 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.98 13.68 74.12 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.68 80.04 3.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.799 0.333 . . . . 0.0 110.282 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -65.91 -35.13 79.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.543 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.53 70.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.08 0.466 . . . . 0.0 110.732 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.59 83.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.332 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.1 77.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.434 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.597 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.96 92.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.719 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -64.95 -41.38 95.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.581 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 99.0 mmm -63.19 -40.34 97.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.667 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.63 -44.57 95.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.471 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.6 -41.41 98.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.346 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 38.2 t -61.26 -46.04 92.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.6 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.82 -42.13 97.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.404 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -61.13 -43.66 98.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.32 0.581 . . . . 0.0 110.492 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.58 99.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.373 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.88 -39.82 91.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.788 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.24 -42.48 95.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.326 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.11 -40.47 94.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.013 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.517 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.63 -45.28 79.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.441 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.63 -38.53 87.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.31 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.21 -43.31 99.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.255 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' VAL . . . . . 0.43 ' HB ' HD21 ' C' ' 11' ' ' LEU . 73.2 t -65.81 -43.86 93.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.028 0.442 . . . . 0.0 109.997 179.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.6 ' OE1' ' N ' ' C' ' 56' ' ' THR . 0.8 OUTLIER -61.32 -44.09 97.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.301 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.851 HG21 HG22 ' D' ' 356' ' ' THR . 19.3 m -59.6 -42.0 91.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.107 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -60.07 -34.08 72.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.929 0.395 . . . . 0.0 110.468 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.534 HD22 HD22 ' C' ' 4' ' ' LEU . 93.1 mt -70.73 -60.6 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.79 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.538 HD12 ' NE2' ' C' ' 55' ' ' GLN . 71.8 mt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.869 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.626 ' O ' HG23 ' C' ' 75' ' ' VAL . 91.2 p . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 121.016 0.436 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.71 -43.78 98.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.712 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.577 HG13 HG21 ' C' ' 8' ' ' VAL . 72.5 t -64.38 -47.05 91.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 130.098 3.359 . . . . 0.0 110.658 -178.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.48 HD22 ' CG1' ' C' ' 59' ' ' ILE . 93.6 mt -66.29 -40.35 89.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.026 178.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.626 HG23 ' O ' ' C' ' 71' ' ' SER . 53.4 t -59.5 -48.11 88.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.17 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.11 -44.48 94.84 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.325 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.12 88.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.895 0.378 . . . . 0.0 110.436 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 78' ' ' GLN . . . . . 0.402 ' HG2' HE21 ' C' ' 55' ' ' GLN . 85.1 mt-30 -62.82 -40.52 97.64 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.242 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.492 ' O ' HG23 ' C' ' 83' ' ' THR . 47.7 tp -57.22 -46.71 82.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.543 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -67.75 -46.85 70.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.781 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 81' ' ' LEU . . . . . 0.402 HD21 ' HB1' ' C' ' 51' ' ' ALA . 14.8 mt -61.5 -45.36 94.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.811 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.1 mmm -61.89 -43.09 99.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.371 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.492 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.7 p -63.55 -46.78 84.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.165 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -61.84 -48.42 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.95 -48.6 79.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 110.535 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.41 -44.74 96.61 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.191 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.02 80.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.954 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -58.46 -45.2 89.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.306 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.21 -44.29 97.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.19 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.4 mt -64.59 -42.91 95.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.183 0.516 . . . . 0.0 109.996 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.622 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.7 mt -60.05 -41.77 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.438 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 14.4 m -57.36 -45.66 84.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.049 0.452 . . . . 0.0 109.978 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.73 -43.81 95.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.508 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.51 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 86.3 mt -59.54 -43.84 93.38 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.9 -43.07 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.63 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -61.26 -40.14 92.96 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.05 -41.55 98.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.881 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.51 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 62.1 m80 -60.23 -40.32 89.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.48 -39.63 94.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.166 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -39.35 94.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.213 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.323 179.921 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.527 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.701 0 CA-C-O 121.956 0.884 . . . . 0.0 108.955 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.469 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.0 t80 -139.78 143.04 36.71 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.29 38.48 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.908 -1.12 . . . . 0.0 109.517 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.14 149.21 28.53 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.32 18.97 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.992 -1.067 . . . . 0.0 108.342 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.8 144.37 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.65 136.59 36.96 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 122.137 0.97 . . . . 0.0 110.127 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.99 114.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.83 -4.25 19.48 Favored 'General case' 0 C--N 1.264 -3.121 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.52 141.77 85.73 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 119.722 -1.861 . . . . 0.0 110.648 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.42 -47.68 12.7 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 124.828 3.685 . . . . 0.0 114.127 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -102.16 27.49 6.63 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 116.085 -2.246 . . . . 0.0 108.821 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.47 -142.71 46.8 Favored Glycine 0 N--CA 1.496 2.685 0 C-N-CA 117.766 -2.159 . . . . 0.0 109.547 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.3 tp -88.23 74.27 8.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.826 -1.396 . . . . 0.0 109.492 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -67.72 176.6 2.4 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 117.889 -1.524 . . . . 0.0 112.078 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 37.2 p -39.82 -68.22 0.18 Allowed 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 117.252 2.316 . . . . 0.0 117.252 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 7.2 tmm_? -56.92 -50.65 86.91 Favored Pre-proline 0 N--CA 1.492 1.672 0 C-N-CA 120.196 -0.602 . . . . 0.0 112.552 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.34 -32.23 61.51 Favored 'Trans proline' 0 C--N 1.318 -1.034 0 CA-C-N 119.525 0.866 . . . . 0.0 111.48 -178.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.488 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.0 -38.86 86.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.22 -0.925 . . . . 0.0 109.474 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.95 -39.65 72.48 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -64.01 -39.4 94.03 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 117.987 -1.485 . . . . 0.0 109.462 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.63 -45.35 93.25 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 122.609 1.195 . . . . 0.0 108.723 -177.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.488 HG23 ' O ' ' D' ' 319' ' ' ALA . 57.8 t -62.57 -42.29 95.33 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.663 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.49 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 96.9 mttt -63.95 -40.18 95.84 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.273 -0.892 . . . . 0.0 109.761 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.84 -39.69 79.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.4 -0.812 . . . . 0.0 109.578 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.9 91.84 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.672 -1.268 . . . . 0.0 109.482 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.39 -16.2 44.14 Favored 'General case' 0 N--CA 1.511 2.586 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.51 86.16 Favored Glycine 0 N--CA 1.478 1.439 0 O-C-N 119.935 -1.728 . . . . 0.0 109.312 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.411 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.45 143.38 32.78 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.22 -1.753 . . . . 0.0 110.01 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.9 p -75.61 -30.08 59.44 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.262 -0.899 . . . . 0.0 112.318 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.79 158.55 10.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.757 -1.839 . . . . 0.0 112.721 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.583 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.35 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 102.867 -3.012 . . . . 0.0 102.867 171.2 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.7 136.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 CA-C-O 122.186 0.994 . . . . 0.0 109.286 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -124.93 143.2 51.0 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-O 123.083 1.42 . . . . 0.0 109.967 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.06 129.94 61.41 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.732 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 173.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.8 m -127.44 119.5 26.26 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.907 -1.121 . . . . 0.0 108.946 -178.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.2 t -122.51 122.56 39.21 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.576 -0.703 . . . . 0.0 109.904 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.81 38.92 24.5 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.861 -1.149 . . . . 0.0 112.737 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.01 83.54 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 119.97 -1.706 . . . . 0.0 112.484 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.204 -2.147 . . . . 0.0 105.204 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.83 158.53 33.2 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.751 1.738 . . . . 0.0 112.446 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.38 31.4 Favored 'General case' 0 C--N 1.278 -2.528 0 CA-C-N 112.495 -2.139 . . . . 0.0 108.565 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.59 135.9 48.81 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 173.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.442 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.89 -6.87 48.04 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.61 -1.306 . . . . 0.0 110.754 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.45 12.94 31.56 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.642 -1.286 . . . . 0.0 109.41 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.3 t -133.1 104.16 6.38 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 122.2 1.0 . . . . 0.0 110.143 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 347' ' ' LEU . . . . . 0.433 HD22 ' CE ' ' A' ' 9' ' ' MET . 55.6 tp -57.16 -37.93 72.81 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.025 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.87 -51.39 70.21 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.57 -1.331 . . . . 0.0 113.038 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.01 -32.46 70.63 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 119.606 -1.933 . . . . 0.0 109.234 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.86 -33.75 75.92 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.876 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -67.64 -10.42 51.97 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.641 -0.662 . . . . 0.0 109.994 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.1 p -89.8 -7.75 53.67 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 118.082 -1.447 . . . . 0.0 110.939 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.32 159.27 15.34 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.257 -0.902 . . . . 0.0 110.222 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.63 104.85 2.96 Favored Glycine 0 N--CA 1.486 2.006 0 N-CA-C 106.91 -2.476 . . . . 0.0 106.91 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 355' ' ' LEU . . . . . 0.433 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.7 mt -119.59 47.29 1.74 Allowed 'General case' 0 C--N 1.309 -1.189 0 O-C-N 120.653 -1.499 . . . . 0.0 107.466 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.966 HG22 HG21 ' C' ' 56' ' ' THR . 4.5 p -81.39 172.51 13.46 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.307 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.65 140.88 57.29 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.941 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.43 -3.1 78.88 Favored Glycine 0 N--CA 1.501 3.001 0 C-N-CA 120.052 -1.071 . . . . 0.0 111.349 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.3 m -84.48 135.99 34.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.959 -1.318 . . . . 0.0 110.543 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.1 t -96.55 123.69 48.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.491 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.13 160.15 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.278 0 C-N-CA 117.379 -1.728 . . . . 0.0 110.661 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.9 m -108.93 128.36 54.87 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.5 -1.375 . . . . 0.0 107.55 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.78 121.39 60.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 176.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.62 147.25 50.71 Favored 'General case' 0 C--N 1.285 -2.206 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 -179.57 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.39 47.17 Favored 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 118.501 -1.28 . . . . 0.0 109.741 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.527 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.75 6.41 Favored 'General case' 0 C--N 1.287 -2.127 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.075 178.179 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.24 40.14 Favored Glycine 0 C--N 1.295 -1.695 0 C-N-CA 117.995 -2.05 . . . . 0.0 110.382 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.46 -40.56 82.98 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.405 -0.898 . . . . 0.0 112.175 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.08 36.86 3.52 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 115.847 -2.341 . . . . 0.0 108.561 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.44 -33.48 65.91 Favored 'General case' 0 N--CA 1.522 3.137 0 N-CA-C 116.872 2.175 . . . . 0.0 116.872 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.439 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.64 27.44 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.615 -1.928 . . . . 0.0 110.979 -176.584 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.766 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.77 97.91 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 178.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.49 77.67 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 117.469 -1.692 . . . . 0.0 109.992 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.78 -42.34 89.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 122.202 1.001 . . . . 0.0 109.255 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.85 -47.91 76.44 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-O 122.008 0.909 . . . . 0.0 108.704 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.766 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.2 m80 -69.87 -38.3 76.36 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.661 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.1 mt -75.61 -28.63 58.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.418 -1.426 . . . . 0.0 110.87 -174.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.41 -39.51 71.53 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.451 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.11 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.29 -45.22 84.32 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.499 177.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.491 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.33 -37.39 85.42 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.882 -1.136 . . . . 0.0 111.541 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.8 61.64 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.181 -0.95 . . . . 0.0 110.276 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.91 -32.33 45.63 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.482 -0.762 . . . . 0.0 111.281 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.96 125.42 11.97 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 124.256 1.979 . . . . 0.0 112.937 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.204 -2.725 . . . . 0.0 110.073 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.689 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.9 mt . . . . . 0 N--CA 1.456 -0.162 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -64.54 -48.09 76.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.893 0.378 . . . . 0.0 110.275 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -67.78 -35.66 79.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.295 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.51 -42.42 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 4' ' ' LEU . 78.8 t -60.65 -44.68 97.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.94 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.433 ' CE ' HD22 ' D' ' 347' ' ' LEU . 93.7 mtp -59.95 -41.4 91.78 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.53 97.43 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 11' ' ' LEU . 85.5 mt -63.41 -42.62 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.2 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.75 -44.23 99.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.733 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.552 HD11 ' HB1' ' D' ' 320' ' ' ALA . 84.5 mt -62.67 -44.04 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.008 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.29 -45.25 95.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.767 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.4 t -60.26 -44.65 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.996 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.97 -41.21 98.72 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.493 ' O ' ' OG ' ' A' ' 20' ' ' SER . 91.5 mm-40 -62.75 -42.63 99.77 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.9 -47.35 86.13 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.877 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.442 HH21 ' N ' ' A' ' 84' ' ' SER . 41.9 ttm180 -61.03 -46.17 91.83 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.0 p -56.61 -42.56 78.98 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.34 -41.69 98.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.695 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.43 -47.04 82.82 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -58.83 -41.92 88.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.575 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.87 87.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.779 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.8 91.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.723 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 26' ' ' LEU . 56.0 tp -61.27 -44.72 96.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.464 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.536 ' NZ ' ' OE1' ' A' ' 31' ' ' GLN . 66.0 tttm -55.41 -43.19 75.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -62.7 -41.96 99.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.778 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.05 94.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.713 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.67 -27.92 69.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.125 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.536 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 26.2 mt-30 -80.21 -3.94 51.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.473 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.3 13.58 70.68 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.39 79.46 2.78 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.766 0.317 . . . . 0.0 110.242 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -65.03 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.618 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.86 77.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.45 . . . . 0.0 110.748 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.22 80.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.392 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.31 78.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.639 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.33 -44.29 95.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.638 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.57 98.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.47 -42.22 92.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.512 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.642 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.5 mtm -64.04 -41.52 97.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.547 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.43 -47.27 86.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 0.0 110.559 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.04 -41.93 97.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.247 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.2 m -60.78 -46.71 89.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.531 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -60.96 -42.73 98.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.319 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.58 -42.65 99.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.224 0.535 . . . . 0.0 110.646 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.21 -41.84 96.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.204 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 18' ' ' ALA . 90.3 mt -65.65 -40.38 92.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.667 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -61.35 -41.79 97.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.283 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.52 -40.05 92.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.215 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.1 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.486 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.63 -38.59 91.7 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.423 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.64 -43.94 97.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.327 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.39 -43.92 94.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.053 0.454 . . . . 0.0 109.968 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.422 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 67.8 tp60 -61.28 -41.84 97.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.243 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.1 m -58.77 -42.84 89.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.04 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.42 -36.64 84.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.509 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.72 -25.39 65.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.652 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.436 ' CG1' HD22 ' A' ' 74' ' ' LEU . 96.8 mt -92.14 -32.43 5.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.531 -179.799 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.929 0.395 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 75' ' ' VAL . 82.8 p -132.26 165.08 24.98 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.9 mt -58.32 -42.25 86.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.65 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.649 HG13 HG21 ' A' ' 8' ' ' VAL . 50.9 t -63.56 -47.61 90.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.882 0.372 . . . . 0.0 110.603 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.436 HD22 ' CG1' ' A' ' 59' ' ' ILE . 93.1 mt -64.33 -41.14 96.94 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.019 0.437 . . . . 0.0 110.827 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 71' ' ' SER . 61.2 t -59.81 -47.64 90.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.145 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -58.68 -44.39 90.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.839 0.352 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.84 -42.01 95.26 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.665 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.417 ' OE1' HD11 ' A' ' 59' ' ' ILE . 21.7 mm100 -62.94 -42.0 99.67 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.221 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.545 ' O ' HG23 ' A' ' 83' ' ' THR . 50.1 tp -58.32 -46.77 85.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.417 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -67.78 -48.77 65.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.679 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.47 -45.61 93.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.794 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -62.13 -44.01 97.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.147 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.1 p -63.76 -46.3 85.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.077 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.442 ' N ' HH21 ' A' ' 19' ' ' ARG . 46.7 t -62.61 -49.26 75.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.373 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.2 ttm -58.22 -47.46 83.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.483 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.8 -45.26 94.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.391 . . . . 0.0 110.091 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.56 84.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.837 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.1 -45.41 87.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.145 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.9 mt-10 -62.18 -42.67 99.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.123 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.22 -42.94 96.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.268 0.556 . . . . 0.0 109.911 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.429 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.0 mt -60.41 -41.57 87.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.328 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.5 m -57.15 -46.07 83.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.036 0.446 . . . . 0.0 109.931 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -62.54 -42.8 99.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.529 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.4 mt -58.81 -42.89 90.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.362 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.642 HD12 ' SD ' ' A' ' 41' ' ' MET . 91.0 mt -61.73 -42.45 94.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.551 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -61.64 -39.1 90.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.701 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.53 HD11 ' CD2' ' B' ' 94' ' ' LEU . 85.5 mt -61.99 -41.17 97.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.865 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -60.08 -38.72 83.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.35 -38.98 91.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.179 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.51 -38.22 90.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.186 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.421 179.514 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.676 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.0 mt . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 120.579 0.228 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -64.42 -48.35 75.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.353 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -67.3 -36.14 80.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.225 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.31 -42.28 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.011 0.434 . . . . 0.0 110.375 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.676 HG23 ' O ' ' B' ' 4' ' ' LEU . 78.5 t -60.77 -44.78 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.929 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.5 mtp -59.85 -41.27 91.09 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.79 -42.53 97.04 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.2 -42.47 99.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.801 0.334 . . . . 0.0 110.377 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.2 mt -63.11 -43.85 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.642 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.96 -44.11 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.941 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.21 -45.28 95.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.857 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.4 t -60.07 -45.03 94.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.04 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.43 98.96 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.488 ' O ' ' OG ' ' B' ' 20' ' ' SER . 91.6 mm-40 -62.44 -42.73 99.67 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.439 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -59.69 -47.62 84.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.943 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.457 HH21 ' N ' ' B' ' 84' ' ' SER . 41.9 ttm180 -60.89 -45.73 93.43 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.3 p -57.0 -42.62 80.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.7 mt -62.27 -41.49 98.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.71 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.431 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.82 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.462 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.0 m-85 -58.87 -41.87 88.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.618 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.34 88.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.699 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.73 -44.98 90.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.621 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.515 HD11 ' CE1' ' B' ' 98' ' ' HIS . 56.6 tp -61.17 -44.67 96.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.308 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.525 ' NZ ' ' OE1' ' B' ' 31' ' ' GLN . 66.1 tttm -55.75 -42.91 76.11 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.84 -41.76 99.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.863 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.39 94.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.725 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.2 -28.57 69.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.097 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.525 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 26.2 mt-30 -79.72 -4.05 50.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.421 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.42 13.27 71.06 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.06 79.33 2.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.735 0.302 . . . . 0.0 110.321 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -65.16 -35.13 80.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.623 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.21 -49.3 76.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.051 0.453 . . . . 0.0 110.766 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.93 79.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.426 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.12 78.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.52 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.61 -44.4 96.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.492 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.69 98.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.658 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.6 -42.21 91.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.457 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.649 ' SD ' HD12 ' B' ' 95' ' ' ILE . 72.8 mtm -63.78 -41.62 97.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.545 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -61.49 -47.68 84.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.469 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.61 -41.74 98.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.297 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m -60.87 -46.98 88.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.471 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -60.82 -42.61 98.03 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.283 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.62 -42.76 99.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.264 0.554 . . . . 0.0 110.651 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.94 -42.35 97.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.136 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.439 HD21 ' CB ' ' B' ' 18' ' ' ALA . 89.7 mt -65.37 -40.44 93.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.72 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -61.24 -41.95 97.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.366 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.28 -40.26 93.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.222 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.43 -44.37 78.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.482 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -63.4 -38.65 91.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.277 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 53' ' ' LEU . 37.6 mt -61.67 -44.2 97.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.334 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.13 -43.74 95.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.016 0.436 . . . . 0.0 110.007 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.403 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 67.3 tp60 -61.56 -41.55 97.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.238 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 96.1 m -58.97 -43.08 91.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.963 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.08 -37.18 86.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.843 0.354 . . . . 0.0 110.496 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.2 -25.52 66.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.443 ' CG1' HD22 ' B' ' 74' ' ' LEU . 96.9 mt -92.17 -32.69 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.768 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 -179.78 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.884 0.373 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.549 ' O ' HG23 ' B' ' 75' ' ' VAL . 94.5 p -131.62 166.94 20.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.532 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.84 -41.85 96.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.483 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.636 HG13 HG21 ' B' ' 8' ' ' VAL . 49.4 t -62.74 -46.9 95.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.606 -177.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.443 HD22 ' CG1' ' B' ' 59' ' ' ILE . 97.1 mt -64.68 -40.86 96.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.99 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 71' ' ' SER . 58.1 t -59.77 -47.8 89.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.294 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -58.84 -44.53 90.96 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.306 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.403 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -64.53 -42.24 95.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.88 0.372 . . . . 0.0 110.427 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.408 ' OE1' HD11 ' B' ' 59' ' ' ILE . 21.3 mm100 -62.75 -41.93 99.43 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.25 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 83' ' ' THR . 49.2 tp -58.53 -46.5 86.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.378 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -67.82 -48.99 64.67 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.729 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.14 -45.68 93.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.05 -44.18 97.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.541 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.8 p -63.52 -46.47 85.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.104 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.457 ' N ' HH21 ' B' ' 19' ' ' ARG . 46.8 t -62.32 -49.49 75.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.581 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 34.1 ttm -57.9 -47.41 82.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.471 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.11 -44.79 95.88 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.159 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.79 -47.4 85.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.843 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.16 -45.51 87.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.267 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.489 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.2 mt-10 -61.67 -43.18 99.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.172 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 70.3 mt -64.05 -42.86 96.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.16 0.505 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.431 HD12 ' HB1' ' B' ' 22' ' ' ALA . 79.1 mt -60.35 -41.53 87.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.183 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.8 m -57.18 -46.09 83.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.13 0.49 . . . . 0.0 109.871 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.65 -42.72 99.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.44 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.53 ' CD2' HD11 ' A' ' 97' ' ' LEU . 37.2 mt -58.84 -43.11 90.62 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.649 HD12 ' SD ' ' B' ' 41' ' ' MET . 90.6 mt -61.57 -42.77 95.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.511 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -60.86 -39.69 90.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' C' ' 94' ' ' LEU . 84.5 mt -61.92 -41.3 97.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.824 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.515 ' CE1' HD11 ' B' ' 26' ' ' LEU . 47.0 m170 -59.73 -39.06 83.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.74 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.85 -39.37 91.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.14 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.38 -38.15 90.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.204 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.342 179.541 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.682 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.8 mt . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -64.24 -48.47 75.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.828 0.346 . . . . 0.0 110.411 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.21 -36.28 81.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.301 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.1 -42.35 95.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.682 HG23 ' O ' ' C' ' 4' ' ' LEU . 78.0 t -60.76 -44.89 98.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.976 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.5 mtp -59.83 -40.99 90.34 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.35 96.79 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.29 -42.64 99.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.414 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.85 -43.89 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.761 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.86 -44.1 99.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.047 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.19 -45.78 93.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.778 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -59.7 -44.69 93.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.162 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.65 -41.99 98.88 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' GLN . . . . . 0.505 ' O ' ' OG ' ' C' ' 20' ' ' SER . 91.4 mm-40 -62.33 -42.58 99.49 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.441 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -59.61 -47.66 84.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.451 HH21 ' N ' ' C' ' 84' ' ' SER . 41.7 ttm180 -60.95 -45.55 94.27 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.3 p -57.37 -42.47 82.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.11 -41.59 98.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.721 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.425 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.89 -46.63 84.62 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.9 m-85 -59.3 -41.82 89.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.501 178.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.32 88.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.723 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.69 -44.86 90.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.609 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.516 HD11 ' CE1' ' C' ' 98' ' ' HIS . 56.7 tp -61.4 -44.8 96.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.419 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' LYS . . . . . 0.546 ' NZ ' ' OE1' ' C' ' 31' ' ' GLN . 65.9 tttm -55.33 -43.03 74.58 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -62.77 -41.73 99.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.926 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.91 95.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.778 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -61.81 -28.16 69.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.083 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.546 ' OE1' ' NZ ' ' C' ' 27' ' ' LYS . 26.2 mt-30 -79.88 -4.24 51.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.407 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.65 13.25 70.46 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.25 79.27 2.8 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -65.04 -35.4 81.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.578 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -49.27 76.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.076 0.465 . . . . 0.0 110.672 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.11 80.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.59 -48.36 77.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.49 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.11 -44.57 94.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.607 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.81 98.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.46 -42.53 92.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.051 0.453 . . . . 0.0 110.57 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.649 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.1 mtm -63.56 -41.64 98.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.59 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.51 -47.62 84.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.387 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -63.64 -41.69 98.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.346 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -61.05 -46.75 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.505 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.86 -42.68 98.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.357 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.49 -43.01 99.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.332 0.587 . . . . 0.0 110.564 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.45 97.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.328 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.441 HD21 ' CB ' ' C' ' 18' ' ' ALA . 90.3 mt -65.22 -40.51 94.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.725 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.46 -41.59 97.47 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.343 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.54 -40.14 92.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.031 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.45 78.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.454 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.47 -38.34 90.76 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.357 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.23 -43.77 98.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.251 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 62.6 t -65.34 -43.77 94.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.979 0.419 . . . . 0.0 109.961 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.421 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 67.7 tp60 -61.52 -41.96 98.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.265 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.966 HG21 HG22 ' D' ' 356' ' ' THR . 97.8 m -58.71 -42.76 89.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.1 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -63.19 -37.39 87.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.942 0.401 . . . . 0.0 110.5 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.85 -25.51 66.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.786 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.434 ' CG1' HD22 ' C' ' 74' ' ' LEU . 96.8 mt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.812 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.561 ' O ' HG23 ' C' ' 75' ' ' VAL . 97.3 p . . . . . 0 C--O 1.227 -0.127 0 CA-C-O 121.044 0.45 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.62 -41.6 99.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.646 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.611 HG13 HG21 ' C' ' 8' ' ' VAL . 49.2 t -63.3 -47.53 91.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 130.109 3.364 . . . . 0.0 110.652 -178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.434 HD22 ' CG1' ' C' ' 59' ' ' ILE . 98.9 mt -66.65 -40.52 88.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 178.035 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.561 HG23 ' O ' ' C' ' 71' ' ' SER . 63.0 t -60.15 -48.25 88.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.266 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -58.79 -44.26 90.69 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.325 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.421 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -65.09 -41.68 94.78 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.875 0.369 . . . . 0.0 110.44 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 78' ' ' GLN . . . . . 0.406 ' OE1' HD11 ' C' ' 59' ' ' ILE . 21.2 mm100 -63.26 -41.67 99.06 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.202 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.545 ' O ' HG23 ' C' ' 83' ' ' THR . 48.7 tp -58.75 -46.49 87.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.52 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -67.85 -48.79 65.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.668 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.51 -45.32 94.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.785 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.23 -44.16 97.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.348 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.545 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.2 p -63.82 -46.27 85.86 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.14 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 84' ' ' SER . . . . . 0.451 ' N ' HH21 ' C' ' 19' ' ' ARG . 44.7 t -62.43 -49.12 76.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.631 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 34.1 ttm -58.3 -47.41 83.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.506 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.06 -45.09 95.09 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.136 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.36 85.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.954 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.25 -45.31 88.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.7 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.192 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.9 -42.98 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.162 0.506 . . . . 0.0 110.04 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.425 HD12 ' HB1' ' C' ' 22' ' ' ALA . 78.7 mt -60.31 -41.45 87.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.353 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 77.4 m -57.49 -45.68 84.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.03 0.443 . . . . 0.0 109.972 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.93 -42.42 99.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.484 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.533 ' CD2' HD11 ' B' ' 97' ' ' LEU . 36.8 mt -59.1 -42.91 91.63 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 95' ' ' ILE . . . . . 0.649 HD12 ' SD ' ' C' ' 41' ' ' MET . 90.2 mt -61.72 -42.55 94.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.545 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.14 -39.37 89.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.781 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 97' ' ' LEU . 86.3 mt -61.99 -41.35 97.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.91 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.516 ' CE1' HD11 ' C' ' 26' ' ' LEU . 47.3 m170 -59.76 -39.0 83.39 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.95 -39.26 91.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.089 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.37 -38.24 90.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.204 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.376 179.602 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 121.869 0.842 . . . . 0.0 109.005 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.8 143.0 36.65 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.36 38.7 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.0 -1.062 . . . . 0.0 109.507 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.15 28.46 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.93 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.993 -1.067 . . . . 0.0 108.389 178.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.31 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.64 136.64 36.89 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 122.134 0.968 . . . . 0.0 110.135 177.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -85.01 114.32 25.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.91 -4.22 19.38 Favored 'General case' 0 C--N 1.265 -3.083 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.805 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.6 141.82 85.57 Favored Pre-proline 0 N--CA 1.5 2.06 0 O-C-N 119.674 -1.892 . . . . 0.0 110.579 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.58 -47.55 13.22 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 124.739 3.626 . . . . 0.0 114.102 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -102.21 27.55 6.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 116.052 -2.259 . . . . 0.0 108.728 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.64 -143.82 48.73 Favored Glycine 0 N--CA 1.496 2.688 0 C-N-CA 117.738 -2.172 . . . . 0.0 109.588 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.2 tp -99.76 80.68 2.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.934 -1.333 . . . . 0.0 109.534 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -83.92 174.92 9.96 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 117.789 -1.564 . . . . 0.0 112.186 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 60.5 p -29.86 -68.82 0.07 Allowed 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.592 ' NH1' ' OG ' ' A' ' 20' ' ' SER . 3.3 ttt-85 -48.64 -60.9 3.8 Favored Pre-proline 0 N--CA 1.493 1.69 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.578 -177.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.59 -32.25 58.7 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.369 2.046 . . . . 0.0 111.481 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.475 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.01 -38.86 86.75 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.241 -0.912 . . . . 0.0 109.457 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.436 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.81 -39.77 72.88 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -63.97 -39.31 93.85 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.937 -1.505 . . . . 0.0 109.529 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.78 -45.29 93.37 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 122.61 1.195 . . . . 0.0 108.702 -177.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.475 HG23 ' O ' ' D' ' 319' ' ' ALA . 52.9 t -62.62 -42.28 95.4 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.262 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.658 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.264 -0.898 . . . . 0.0 109.761 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.7 80.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.509 -0.744 . . . . 0.0 109.565 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.04 91.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.581 -1.324 . . . . 0.0 109.36 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.35 -16.14 43.11 Favored 'General case' 0 N--CA 1.512 2.628 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.91 -10.61 86.08 Favored Glycine 0 N--CA 1.479 1.55 0 O-C-N 119.937 -1.727 . . . . 0.0 109.32 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.404 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.33 32.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.329 -1.689 . . . . 0.0 109.996 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.53 -30.11 59.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.228 -0.92 . . . . 0.0 112.395 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.74 158.6 10.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 119.843 -1.786 . . . . 0.0 112.779 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.99 130.24 35.32 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 102.836 -3.024 . . . . 0.0 102.836 171.229 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.6 60.32 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.393 0 CA-C-O 122.252 1.025 . . . . 0.0 109.318 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.92 143.21 50.98 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 123.107 1.432 . . . . 0.0 109.942 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.13 129.94 61.52 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 173.114 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.5 m -127.43 119.58 26.46 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.928 -1.108 . . . . 0.0 108.923 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.55 122.64 39.36 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 119.946 -0.701 . . . . 0.0 109.864 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.72 38.92 24.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.964 -1.085 . . . . 0.0 112.816 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 10.94 83.56 Favored Glycine 0 N--CA 1.502 3.057 0 O-C-N 119.939 -1.725 . . . . 0.0 112.503 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.81 136.28 54.53 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.83 158.53 33.18 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-O 123.771 1.748 . . . . 0.0 112.432 -176.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.3 31.26 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 112.463 -2.153 . . . . 0.0 108.56 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.5 135.99 49.03 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 173.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.04 -6.75 47.59 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.707 -1.246 . . . . 0.0 110.734 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.49 12.95 31.59 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.634 -1.291 . . . . 0.0 109.354 -177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.4 t -133.04 104.08 6.35 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 122.094 0.95 . . . . 0.0 110.132 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.18 -37.99 72.95 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.989 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -58.76 -51.37 70.26 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.552 -1.343 . . . . 0.0 113.156 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.38 70.4 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 119.592 -1.943 . . . . 0.0 109.211 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.79 -33.82 76.0 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.895 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.54 -10.54 52.71 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.583 -0.698 . . . . 0.0 109.966 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.1 p -89.76 -7.72 53.82 Favored 'General case' 0 N--CA 1.502 2.171 0 C-N-CA 118.098 -1.441 . . . . 0.0 110.947 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.2 mt -93.39 159.25 15.34 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.197 -0.939 . . . . 0.0 110.113 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 106.906 -2.477 . . . . 0.0 106.906 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.54 47.45 1.71 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.621 -1.517 . . . . 0.0 107.415 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.782 HG22 HG21 ' C' ' 56' ' ' THR . 80.6 p -81.46 172.53 13.4 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 118.811 -1.155 . . . . 0.0 109.175 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.69 140.93 57.31 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.812 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.18 79.0 Favored Glycine 0 N--CA 1.5 2.955 0 C-N-CA 120.0 -1.095 . . . . 0.0 111.379 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.48 135.85 34.07 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.875 -1.368 . . . . 0.0 110.591 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.46 123.68 48.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.492 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.12 160.06 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 C-N-CA 117.438 -1.705 . . . . 0.0 110.637 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.0 m -108.85 128.38 54.85 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.493 -1.38 . . . . 0.0 107.624 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.79 121.36 60.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.64 147.28 50.72 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -179.544 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.17 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 118.576 -1.25 . . . . 0.0 109.769 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.78 6.41 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 118.574 -1.251 . . . . 0.0 108.065 178.185 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.34 40.15 Favored Glycine 0 C--N 1.296 -1.687 0 C-N-CA 118.031 -2.033 . . . . 0.0 110.374 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.59 82.49 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.357 -0.922 . . . . 0.0 112.26 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.02 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 115.899 -2.32 . . . . 0.0 108.57 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.55 65.81 Favored 'General case' 0 N--CA 1.522 3.173 0 N-CA-C 116.855 2.168 . . . . 0.0 116.855 -174.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.45 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.89 -45.59 27.56 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 119.578 -1.951 . . . . 0.0 111.003 -176.549 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.773 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.58 -40.7 97.62 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.43 77.87 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 117.441 -1.704 . . . . 0.0 110.035 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.87 -42.29 88.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 CA-C-O 122.162 0.982 . . . . 0.0 109.203 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -55.76 -48.0 76.02 Favored 'General case' 0 C--N 1.285 -2.204 0 CA-C-O 122.091 0.948 . . . . 0.0 108.74 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.773 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.78 -38.32 76.67 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.733 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.6 mt -75.6 -28.6 58.94 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.421 -1.425 . . . . 0.0 110.897 -174.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.57 71.03 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.17 63.55 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.17 84.5 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 118.998 -1.081 . . . . 0.0 110.53 177.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.492 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.42 85.66 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.864 -1.147 . . . . 0.0 111.506 -177.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.83 -31.81 61.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.144 -0.973 . . . . 0.0 110.282 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.92 -32.26 45.59 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.472 -0.767 . . . . 0.0 111.315 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.14 125.52 12.5 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 124.392 2.044 . . . . 0.0 112.803 178.733 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.805 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.5 tt0 . . . . . 0 C--N 1.277 -2.548 0 CA-C-N 111.131 -2.758 . . . . 0.0 110.114 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.1 mt . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -64.24 -47.66 78.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.212 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.94 -35.38 78.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.267 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.43 -42.98 98.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.392 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.647 HG21 HG13 ' A' ' 73' ' ' VAL . 79.5 t -60.94 -44.1 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.1 mtp -59.29 -41.44 88.98 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.39 -42.02 96.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.9 -42.9 99.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.236 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.07 -43.85 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.783 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.436 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.4 mt -64.03 -44.23 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.008 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -60.86 -47.1 87.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.816 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.2 m -59.5 -43.63 93.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.989 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.408 ' HA3' ' HE ' ' D' ' 317' ' ' ARG . . . -63.61 -42.1 98.9 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.542 ' OE1' ' NH2' ' D' ' 317' ' ' ARG . 26.2 mm100 -62.95 -44.88 94.83 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.33 77.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.865 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.35 -45.58 92.98 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.592 ' OG ' ' NH1' ' D' ' 317' ' ' ARG . 67.0 m -55.71 -44.38 77.37 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.54 -41.48 97.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.675 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.474 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -58.41 -48.28 81.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -58.82 -42.13 88.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.638 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HB3' ' CE ' ' A' ' 40' ' ' MET . . . -59.61 -39.94 85.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.775 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.39 86.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.702 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.23 -44.9 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.445 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.24 -43.87 74.98 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.2 mt-30 -61.81 -41.56 97.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.771 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.59 91.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.782 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.72 -28.35 69.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.118 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -80.82 -5.09 56.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.478 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.67 14.86 69.44 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -98.04 78.49 2.53 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.745 0.307 . . . . 0.0 110.265 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -65.42 -35.3 80.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.632 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.76 -50.62 70.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.043 0.449 . . . . 0.0 110.737 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.44 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -65.11 -35.7 81.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.35 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -47.1 84.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 41' ' ' MET . 88.8 tttt -59.58 -42.42 92.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.661 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.63 -37.38 87.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.405 ' CE ' ' HB3' ' A' ' 24' ' ' ALA . 87.5 mmm -64.77 -47.09 79.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.474 -178.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.455 ' O ' ' OG ' ' A' ' 44' ' ' SER . 20.0 ptm -65.02 -37.49 87.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.655 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -61.72 -48.45 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.514 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.38 -39.89 95.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.209 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -62.19 -44.52 96.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.53 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.765 HH21 HH12 ' A' ' 88' ' ' ARG . 41.4 ttm180 -60.3 -42.34 95.3 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.45 -42.04 98.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.266 0.555 . . . . 0.0 110.598 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.59 99.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.213 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.23 -40.25 93.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.644 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.26 -41.34 96.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.223 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.54 -39.68 92.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.223 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.32 -43.25 82.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.13 -37.98 89.38 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.37 -43.84 98.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.331 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.54 -43.47 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.101 0.477 . . . . 0.0 110.077 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.427 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 66.5 tp60 -59.83 -42.41 93.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.9 m -58.24 -42.13 85.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.988 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -40.22 97.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.962 0.41 . . . . 0.0 110.49 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.467 HD22 HD22 ' A' ' 4' ' ' LEU . 98.6 mt -62.41 -28.5 69.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.721 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.402 HG12 HD22 ' A' ' 74' ' ' LEU . 83.8 mt -84.7 -30.4 6.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.803 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.538 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.944 0.402 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.586 ' O ' HG23 ' A' ' 75' ' ' VAL . 83.2 p -129.33 162.21 28.49 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 178.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.5 mt -57.39 -45.31 84.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.528 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.647 HG13 HG21 ' A' ' 8' ' ' VAL . 54.2 t -64.08 -47.38 90.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.872 0.367 . . . . 0.0 110.53 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.402 HD22 HG12 ' A' ' 59' ' ' ILE . 90.0 mt -63.36 -41.51 98.83 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 71' ' ' SER . 56.4 t -59.71 -47.09 92.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.188 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.54 -45.4 91.9 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.331 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.427 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.16 -44.01 93.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.695 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.646 ' NE2' ' OE2' ' B' ' 76' ' ' GLU . 26.1 mt-30 -63.15 -40.03 96.39 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.17 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 83' ' ' THR . 44.5 tp -58.36 -46.79 85.61 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.369 -178.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -68.11 -47.32 68.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.3 -46.07 91.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.77 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.657 ' SD ' ' N ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -61.7 -43.73 98.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.24 -179.401 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.0 p -63.44 -48.14 78.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.133 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.6 m -61.44 -49.19 77.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.415 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 55.8 ttm -58.47 -47.08 85.22 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.512 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.02 -45.51 93.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.13 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.01 87.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.889 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.765 HH12 HH21 ' A' ' 45' ' ' ARG . 3.5 tmt_? -58.52 -45.36 88.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.143 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.8 mt-10 -62.23 -43.45 98.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.035 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.7 mt -64.02 -43.52 95.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.152 0.501 . . . . 0.0 109.879 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.474 HD12 ' HB1' ' A' ' 22' ' ' ALA . 81.8 mt -60.42 -42.34 90.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.1 m -57.21 -45.83 83.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.003 0.43 . . . . 0.0 109.869 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.33 -43.18 98.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.433 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 81.7 mt -59.15 -43.07 92.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.38 -42.54 94.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.534 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.499 ' CD ' ' NZ ' ' B' ' 30' ' ' LYS . 84.1 tt0 -61.72 -39.45 91.56 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 97' ' ' LEU . 37.7 mt -62.44 -40.8 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.927 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 62.3 m80 -60.27 -39.77 88.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.793 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.46 -39.3 87.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.157 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.76 -36.44 83.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.249 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.42 179.755 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.57 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.9 mt . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.543 0.211 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -63.91 -48.31 77.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.86 0.362 . . . . 0.0 110.369 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.29 -35.71 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.195 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.33 -43.28 98.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.346 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.628 HG21 HG13 ' B' ' 73' ' ' VAL . 79.5 t -60.62 -44.09 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.87 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -59.39 -41.31 89.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.5 -42.04 95.96 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.99 -42.66 99.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.823 0.344 . . . . 0.0 110.394 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.17 -44.06 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.757 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.8 -44.2 98.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.943 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -61.05 -46.92 88.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.849 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 62.3 m -59.54 -43.62 93.46 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.12 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.77 -42.08 98.68 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -62.9 -44.59 95.68 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.1 78.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.908 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.55 -45.59 93.32 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -55.8 -44.25 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.46 -41.88 97.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.747 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.47 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -58.01 -48.46 79.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.447 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 19.9 m-85 -58.84 -41.84 87.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.708 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.401 ' HB3' ' CE ' ' B' ' 40' ' ' MET . . . -59.94 -39.82 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.765 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.73 87.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.629 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.96 -44.57 96.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.374 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.53 -44.05 76.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.449 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.0 mt-30 -61.55 -41.21 97.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.889 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.32 93.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.679 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.499 ' NZ ' ' CD ' ' A' ' 96' ' ' GLU . 67.4 mttm -61.9 -28.36 69.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.037 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -80.92 -5.3 57.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.06 14.59 69.0 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.76 78.49 2.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 110.349 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -65.51 -35.09 79.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.596 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.81 -50.28 71.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.793 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.449 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.42 -35.69 81.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.405 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.21 84.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.506 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' B' ' 41' ' ' MET . 88.8 tttt -59.53 -42.85 93.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.585 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.72 88.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.401 ' CE ' ' HB3' ' B' ' 24' ' ' ALA . 87.3 mmm -64.51 -46.84 81.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.45 ' CG ' ' O ' ' B' ' 38' ' ' LYS . 20.0 ptm -65.12 -37.64 88.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.583 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.78 -48.54 80.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.513 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.03 -40.14 96.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.295 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 41' ' ' MET . 77.7 p -61.99 -44.71 96.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.505 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.775 HH21 HH12 ' B' ' 88' ' ' ARG . 41.3 ttm180 -60.09 -42.49 94.77 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 59.2 mtt -61.26 -42.24 98.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.283 0.563 . . . . 0.0 110.627 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.63 99.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.145 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.15 -40.2 94.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.728 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.32 -41.38 96.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.396 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -65.33 -39.77 92.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.148 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.42 -43.31 81.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.399 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.98 -38.11 89.81 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.309 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 53' ' ' LEU . 40.5 mt -61.34 -43.82 98.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.349 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.54 -43.53 94.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.116 0.484 . . . . 0.0 110.095 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.416 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 66.5 tp60 -59.71 -42.39 92.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.278 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 87.8 m -58.29 -42.13 85.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.989 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.16 -40.06 96.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.447 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.47 HD22 HD22 ' B' ' 4' ' ' LEU . 98.2 mt -62.56 -28.55 69.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.415 HG12 HD22 ' B' ' 74' ' ' LEU . 81.6 mt -84.64 -30.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.763 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.834 0.35 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.62 ' O ' HG23 ' B' ' 75' ' ' VAL . 87.9 p -129.25 164.13 24.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.54 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.59 -45.33 92.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.607 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.628 HG13 HG21 ' B' ' 8' ' ' VAL . 54.7 t -62.99 -46.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.811 0.339 . . . . 0.0 110.674 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.415 HD22 HG12 ' B' ' 59' ' ' ILE . 91.5 mt -63.63 -41.13 98.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.117 0.485 . . . . 0.0 111.043 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 71' ' ' SER . 53.7 t -59.8 -47.17 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.294 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.646 ' OE2' ' NE2' ' A' ' 78' ' ' GLN . 38.8 tp10 -59.68 -45.49 91.92 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.266 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.416 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -63.93 -44.37 93.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.936 0.398 . . . . 0.0 110.371 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.639 ' NE2' ' OE2' ' C' ' 76' ' ' GLU . 26.0 mt-30 -62.88 -40.1 96.49 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 83' ' ' THR . 45.1 tp -58.26 -47.07 84.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.365 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -67.74 -47.69 68.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.784 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.13 -45.81 93.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.881 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' MET . . . . . 0.649 ' N ' ' SD ' ' B' ' 82' ' ' MET . 0.0 OUTLIER -61.8 -43.79 98.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.234 -179.478 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.514 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.4 p -63.56 -47.82 79.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.2 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.1 m -61.12 -49.41 77.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 55.8 ttm -58.37 -47.44 83.81 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.473 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.84 -45.65 92.88 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.084 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.43 -47.4 85.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.891 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.775 HH12 HH21 ' B' ' 45' ' ' ARG . 3.5 tmt_? -58.0 -45.5 86.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.245 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.452 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.6 mt-10 -62.0 -43.55 98.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.132 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.98 -43.4 95.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.039 0.447 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.47 HD12 ' HB1' ' B' ' 22' ' ' ALA . 82.0 mt -60.6 -41.79 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.186 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -57.82 -45.63 85.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.036 0.446 . . . . 0.0 109.888 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.4 -43.32 97.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.466 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.462 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 82.2 mt -59.09 -43.13 91.8 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.27 -42.86 95.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.505 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' GLU . . . . . 0.51 ' CD ' ' NZ ' ' C' ' 30' ' ' LYS . 84.6 tt0 -61.38 -39.6 91.24 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.1 mt -62.35 -40.98 98.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.853 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 61.7 m80 -60.09 -39.64 86.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.826 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.47 -39.42 87.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.128 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.74 -36.19 83.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.209 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.342 179.806 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.591 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.1 mt . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.08 -48.49 75.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.852 0.358 . . . . 0.0 110.374 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.17 -35.83 80.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.245 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.16 -43.01 98.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.361 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.591 HG21 HG13 ' C' ' 73' ' ' VAL . 79.3 t -60.91 -44.28 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.947 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.6 mtp -59.12 -41.46 88.24 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.48 -42.04 95.99 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' C' ' 11' ' ' LEU . 83.1 mt -62.71 -42.87 99.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.381 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.95 -44.1 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.689 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.68 -44.37 98.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.001 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -60.92 -47.01 88.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.877 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 64.3 m -59.48 -43.76 93.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.09 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.77 -41.66 98.82 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -63.37 -44.58 94.36 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.33 77.4 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.35 -45.57 93.02 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -55.78 -44.32 77.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.64 -41.36 97.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.733 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.478 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -58.52 -48.15 81.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.452 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 19.6 m-85 -59.0 -42.25 89.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.507 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 24' ' ' ALA . . . . . 0.41 ' HB3' ' CE ' ' C' ' 40' ' ' MET . . . -59.66 -39.88 85.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.665 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.97 86.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.567 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.81 -44.6 96.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.44 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.51 -43.5 75.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.1 mt-30 -62.3 -41.25 98.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.838 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.21 92.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.806 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' LYS . . . . . 0.51 ' NZ ' ' CD ' ' B' ' 96' ' ' GLU . 67.4 mttm -62.11 -28.34 69.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.136 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -80.72 -5.29 56.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.448 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.14 14.27 69.53 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.67 78.54 2.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.689 0.28 . . . . 0.0 110.262 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -65.47 -35.37 80.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.544 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -50.08 72.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.025 0.44 . . . . 0.0 110.654 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ALA . . . . . 0.444 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.44 -35.92 82.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.429 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.09 84.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' C' ' 41' ' ' MET . 88.8 tttt -59.42 -43.16 93.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.61 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.42 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.743 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' MET . . . . . 0.41 ' CE ' ' HB3' ' C' ' 24' ' ' ALA . 86.4 mmm -64.56 -46.96 80.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -178.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.46 ' O ' ' OG ' ' C' ' 44' ' ' SER . 20.2 ptm -64.95 -38.05 89.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.58 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -61.6 -48.22 81.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.439 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -63.2 -40.29 97.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.331 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' C' ' 41' ' ' MET . 77.4 p -62.02 -44.22 97.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.593 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.78 HH21 HH12 ' C' ' 88' ' ' ARG . 41.3 ttm180 -60.45 -42.41 96.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.419 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 59.5 mtt -61.53 -42.03 98.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.333 0.587 . . . . 0.0 110.52 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.97 99.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.31 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.93 -40.42 95.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.723 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.25 -41.18 96.46 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.307 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.62 -39.44 91.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.066 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.81 -42.96 80.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.429 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.15 -37.93 89.18 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.356 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.76 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.343 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.88 -43.48 93.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.024 0.44 . . . . 0.0 109.959 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.422 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 66.4 tp60 -59.78 -42.5 93.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.222 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.782 HG21 HG22 ' D' ' 356' ' ' THR . 95.0 m -58.18 -41.99 85.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.13 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.29 -40.1 96.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.49 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.473 HD22 HD22 ' C' ' 4' ' ' LEU . 97.9 mt -62.12 -28.91 69.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.411 HG12 HD22 ' C' ' 74' ' ' LEU . 83.9 mt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.629 ' O ' HG23 ' C' ' 75' ' ' VAL . 88.0 p . . . . . 0 C--O 1.226 -0.156 0 CA-C-O 121.054 0.454 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' C' ' 72' ' ' LEU . 23.0 mt -61.36 -44.49 97.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.615 -177.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.591 HG13 HG21 ' C' ' 8' ' ' VAL . 56.0 t -64.39 -47.27 90.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 130.08 3.352 . . . . 0.0 110.599 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.411 HD22 HG12 ' C' ' 59' ' ' ILE . 91.5 mt -65.55 -40.93 93.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.629 HG23 ' O ' ' C' ' 71' ' ' SER . 57.5 t -60.16 -47.56 91.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.215 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.639 ' OE2' ' NE2' ' B' ' 78' ' ' GLN . 39.3 tp10 -59.67 -45.32 92.43 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.323 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.422 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -64.13 -44.69 91.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.889 0.376 . . . . 0.0 110.419 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 78' ' ' GLN . . . . . 0.503 ' O ' ' SD ' ' C' ' 82' ' ' MET . 26.0 mt-30 -62.53 -40.42 96.72 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.23 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.505 ' O ' HG23 ' C' ' 83' ' ' THR . 44.3 tp -57.94 -47.4 83.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.445 -179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -67.39 -47.71 69.53 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.762 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.09 -46.02 92.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.805 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 82' ' ' MET . . . . . 0.656 ' SD ' ' N ' ' C' ' 82' ' ' MET . 0.0 OUTLIER -61.58 -43.86 98.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.505 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.9 p -63.5 -47.88 79.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.156 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 66.4 m -61.46 -49.36 77.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.552 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 56.2 ttm -58.1 -47.31 83.62 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.547 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.04 -45.67 92.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.146 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.07 -47.6 84.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.88 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.78 HH12 HH21 ' C' ' 45' ' ' ARG . 3.5 tmt_? -58.14 -45.25 87.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.23 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.93 -43.76 98.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.176 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.93 -43.32 96.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.168 0.509 . . . . 0.0 109.952 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.478 HD12 ' HB1' ' C' ' 22' ' ' ALA . 82.6 mt -60.65 -41.96 90.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.439 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.51 -45.63 84.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.008 0.432 . . . . 0.0 109.937 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.69 -43.02 97.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.514 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.48 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 82.5 mt -59.22 -42.97 92.26 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.5 -42.68 94.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.5 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.49 -39.38 90.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.37 -41.28 98.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.81 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.48 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 62.2 m80 -59.9 -39.66 86.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.776 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.62 -39.41 88.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.045 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.58 -36.51 84.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.217 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.372 179.808 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.525 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.716 0 CA-C-O 121.869 0.842 . . . . 0.0 108.956 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.78 143.02 36.7 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.34 38.63 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.968 -1.082 . . . . 0.0 109.504 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.15 28.47 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.33 18.93 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.06 -1.025 . . . . 0.0 108.394 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.37 19.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.76 136.64 37.02 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 122.109 0.957 . . . . 0.0 110.146 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.95 114.3 24.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.2 p -106.79 -4.35 19.42 Favored 'General case' 0 C--N 1.266 -3.054 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.47 141.83 85.92 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.779 -1.825 . . . . 0.0 110.605 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -45.51 -47.66 12.93 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 124.746 3.631 . . . . 0.0 114.139 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -102.17 27.51 6.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 116.07 -2.252 . . . . 0.0 108.771 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.06 -142.07 48.37 Favored Glycine 0 N--CA 1.497 2.74 0 C-N-CA 117.674 -2.203 . . . . 0.0 109.562 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.2 tp -88.44 65.7 8.01 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.931 -1.335 . . . . 0.0 109.522 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 315' ' ' HIS . . . . . 0.5 ' HE1' ' OXT' ' D' ' 385' ' ' GLU . 0.7 OUTLIER -54.77 177.66 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 117.863 -1.535 . . . . 0.0 112.163 -178.255 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.0 OUTLIER -45.23 -66.35 0.41 Allowed 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 117.271 2.323 . . . . 0.0 117.271 -176.892 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.557 ' N ' ' OG1' ' D' ' 316' ' ' THR . 7.3 tmm_? -56.11 -50.4 87.61 Favored Pre-proline 0 N--CA 1.493 1.678 0 C-N-CA 120.205 -0.598 . . . . 0.0 112.476 -177.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.8 Cg_endo -63.81 -32.26 67.31 Favored 'Trans proline' 0 C--N 1.317 -1.121 0 C-N-CA 120.955 1.104 . . . . 0.0 111.477 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.516 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.85 86.8 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.259 -0.901 . . . . 0.0 109.495 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.435 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.93 -39.7 72.51 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.93 -39.45 94.2 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 117.941 -1.504 . . . . 0.0 109.469 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.63 -45.34 93.29 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 122.533 1.158 . . . . 0.0 108.654 -177.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.516 HG23 ' O ' ' D' ' 319' ' ' ALA . 68.8 t -62.67 -42.21 95.22 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.275 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.71 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.94 -40.22 95.95 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.247 -0.908 . . . . 0.0 109.74 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.66 80.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.835 . . . . 0.0 109.602 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.03 91.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.608 -1.307 . . . . 0.0 109.422 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.27 -16.25 43.55 Favored 'General case' 0 N--CA 1.512 2.637 0 O-C-N 121.311 -0.868 . . . . 0.0 113.3 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.57 86.13 Favored Glycine 0 N--CA 1.478 1.482 0 O-C-N 119.908 -1.745 . . . . 0.0 109.287 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.47 143.37 32.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.273 -1.722 . . . . 0.0 110.002 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.6 -30.1 59.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.23 -0.919 . . . . 0.0 112.315 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.48 10.24 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 119.791 -1.818 . . . . 0.0 112.829 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.83 130.24 35.48 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 171.223 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.73 136.65 60.19 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-O 122.25 1.024 . . . . 0.0 109.275 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.98 143.24 51.0 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 123.058 1.409 . . . . 0.0 109.965 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.18 129.97 61.54 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.719 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 173.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.5 m -127.49 119.66 26.58 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.875 -1.141 . . . . 0.0 108.885 -178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.58 122.58 39.2 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.594 -0.692 . . . . 0.0 109.872 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.69 38.97 24.24 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.896 -1.127 . . . . 0.0 112.773 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.99 83.54 Favored Glycine 0 N--CA 1.5 2.96 0 O-C-N 119.881 -1.762 . . . . 0.0 112.528 177.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.84 136.19 54.58 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 177.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.76 158.52 33.1 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-O 123.774 1.749 . . . . 0.0 112.411 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.38 Favored 'General case' 0 C--N 1.278 -2.54 0 CA-C-N 112.511 -2.131 . . . . 0.0 108.626 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.58 135.95 48.88 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 173.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.94 -6.84 47.96 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.726 -1.234 . . . . 0.0 110.733 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.51 13.05 31.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.715 -1.24 . . . . 0.0 109.361 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.1 m -133.12 104.06 6.33 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.206 1.003 . . . . 0.0 110.13 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.16 -37.95 72.84 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.977 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -58.92 -51.26 70.81 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.609 -1.307 . . . . 0.0 113.072 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.14 -32.41 70.39 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 119.579 -1.951 . . . . 0.0 109.184 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.78 -33.74 75.8 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.905 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.75 -10.38 52.07 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.644 -0.66 . . . . 0.0 109.934 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.2 p -89.8 -7.69 53.8 Favored 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 118.112 -1.435 . . . . 0.0 110.954 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.37 159.34 15.3 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.244 -0.91 . . . . 0.0 110.119 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.76 104.94 2.98 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 106.887 -2.485 . . . . 0.0 106.887 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.5 mt -119.65 47.35 1.73 Allowed 'General case' 0 C--N 1.309 -1.175 0 O-C-N 120.721 -1.458 . . . . 0.0 107.394 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 62.1 p -81.35 172.55 13.44 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.269 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -60.7 140.88 57.35 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.329 -0.948 . . . . 0.0 109.864 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.08 79.01 Favored Glycine 0 N--CA 1.5 2.959 0 O-C-N 121.009 -1.057 . . . . 0.0 111.303 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.43 135.94 34.06 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 120.927 -1.337 . . . . 0.0 110.557 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.56 123.62 48.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 176.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.486 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.13 160.08 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.347 0 C-N-CA 117.346 -1.742 . . . . 0.0 110.66 178.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.5 m -108.85 128.29 54.78 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.517 -1.365 . . . . 0.0 107.678 175.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.77 121.35 60.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 176.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.29 50.71 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -179.55 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.79 153.37 47.11 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.736 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.525 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.77 6.42 Favored 'General case' 0 C--N 1.288 -2.08 0 C-N-CA 118.556 -1.258 . . . . 0.0 108.052 178.204 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.29 40.14 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 117.981 -2.056 . . . . 0.0 110.351 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.48 -40.56 83.07 Favored 'General case' 0 C--N 1.276 -2.629 0 CA-C-N 114.441 -0.879 . . . . 0.0 112.167 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.09 36.88 3.51 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 115.845 -2.342 . . . . 0.0 108.55 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.42 -33.52 65.9 Favored 'General case' 0 N--CA 1.521 3.105 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.447 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.65 27.51 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.624 -1.922 . . . . 0.0 110.965 -176.592 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.763 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.46 -40.78 98.05 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.55 77.43 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 117.456 -1.698 . . . . 0.0 110.038 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.76 -42.24 89.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 CA-C-O 122.29 1.043 . . . . 0.0 109.319 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.91 -47.93 76.57 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-O 122.068 0.937 . . . . 0.0 108.762 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.763 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.69 -38.43 76.99 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.695 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.439 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.5 mt -75.6 -28.55 58.95 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.361 -1.462 . . . . 0.0 110.912 -174.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.48 70.74 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.3 62.75 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.24 -45.23 84.12 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 118.975 -1.09 . . . . 0.0 110.558 177.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.486 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.36 -37.3 85.16 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.925 -1.109 . . . . 0.0 111.602 -177.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.79 61.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.188 -0.945 . . . . 0.0 110.264 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.87 -32.36 45.89 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.501 -0.749 . . . . 0.0 111.27 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.5 12.37 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 124.337 2.017 . . . . 0.0 112.83 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.555 0 CA-C-N 111.127 -2.76 . . . . 0.0 110.127 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.9 mt . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.62 -47.38 78.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.9 0.381 . . . . 0.0 110.278 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -66.66 -37.55 85.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.264 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.496 HG11 HD11 ' A' ' 58' ' ' LEU . 74.2 t -63.05 -42.48 96.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.386 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 4' ' ' LEU . 77.8 t -60.13 -45.22 96.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.927 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mtp -58.72 -40.94 85.17 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.83 -42.25 97.12 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.96 -42.84 99.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.251 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' CG2' ' OG1' ' D' ' 316' ' ' THR . 93.6 mt -62.73 -44.49 99.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.759 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.435 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.9 mt -63.0 -43.69 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.02 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.34 -46.34 90.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.713 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.4 m -59.93 -44.29 94.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.001 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.7 99.84 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.41 -41.95 98.73 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.476 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.08 -49.1 78.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.877 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -60.42 -45.76 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.41 ' HG ' HH21 ' D' ' 317' ' ' ARG . 67.1 m -54.5 -43.77 72.11 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.53 -41.71 99.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.716 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -58.88 -49.44 77.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -60.02 -42.21 93.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.587 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.46 96.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.744 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.76 89.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.605 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.6 -46.0 91.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.46 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -55.64 -42.88 75.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.17 0.509 . . . . 0.0 109.631 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.672 ' NE2' ' HB1' ' A' ' 36' ' ' ALA . 98.0 mt-30 -60.43 -41.25 93.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.813 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.43 93.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.711 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.61 -29.54 70.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.135 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -83.11 -5.42 59.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.445 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 18.56 64.14 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -100.88 78.65 1.96 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.777 0.323 . . . . 0.0 110.285 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -65.43 -33.44 75.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.645 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -48.44 79.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.148 0.499 . . . . 0.0 110.773 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.672 ' HB1' ' NE2' ' A' ' 28' ' ' GLN . . . -65.5 -34.95 79.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.382 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.73 87.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.614 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.48 -41.89 97.94 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.626 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.2 94.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.586 ' CE ' ' NE2' ' A' ' 28' ' ' GLN . 45.9 mtt -65.55 -40.65 93.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.463 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.501 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 19.1 mmt -62.51 -42.9 99.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.632 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -62.39 -45.59 92.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.996 0.426 . . . . 0.0 110.551 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.2 -41.99 96.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.21 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.43 -46.35 90.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.559 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -60.47 -43.16 97.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.61 -42.57 99.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.141 0.496 . . . . 0.0 110.621 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.05 98.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.162 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 18' ' ' ALA . 97.6 mt -65.59 -39.94 92.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.74 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -61.29 -41.41 96.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.274 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.28 -39.6 92.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.198 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.532 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -67.46 -45.1 76.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.422 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.7 -38.73 88.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.381 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.19 -43.74 98.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.92 -43.77 97.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.04 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.743 HE22 HD23 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -60.15 -41.64 93.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.301 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.4 m -56.89 -44.1 81.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.996 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.74 -40.19 96.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.534 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.496 HD11 HG11 ' A' ' 7' ' ' VAL . 98.3 mt -62.94 -31.01 72.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.669 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -86.5 -31.34 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.829 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.528 179.844 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.461 0.093 0 CA-C-O 120.995 0.426 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 75' ' ' VAL . 85.4 p -131.28 163.25 28.22 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.4 mt -56.89 -44.11 81.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.592 HG13 HG21 ' A' ' 8' ' ' VAL . 54.7 t -63.49 -47.93 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.887 0.375 . . . . 0.0 110.551 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.743 HD23 HE22 ' A' ' 55' ' ' GLN . 83.5 mt -63.79 -42.5 97.73 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 71' ' ' SER . 53.2 t -59.86 -47.74 90.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.178 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.93 -45.32 90.69 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.271 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.65 96.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.606 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -64.54 -40.17 95.1 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.181 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 83' ' ' THR . 40.5 tp -57.51 -47.62 81.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.361 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.42 ' NE2' HG21 ' D' ' 316' ' ' THR . 56.2 m80 -67.45 -48.2 67.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.725 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.532 HD21 ' HB1' ' A' ' 51' ' ' ALA . 14.4 mt -61.57 -45.26 94.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.872 -178.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.8 -45.05 95.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.7 p -62.15 -47.21 85.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.076 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -62.23 -47.84 82.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.441 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -58.68 -48.28 81.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.61 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.89 -45.23 95.43 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.127 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.54 88.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.801 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -61.6 -45.35 94.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.073 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.468 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 95.5 mt-10 -61.2 -49.67 76.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.107 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.37 -41.71 96.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.219 0.533 . . . . 0.0 109.883 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.493 HD13 ' HB1' ' A' ' 22' ' ' ALA . 31.5 mt -59.77 -42.11 87.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.501 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 98.3 m -58.32 -45.96 87.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.988 0.423 . . . . 0.0 109.872 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.7 -42.51 99.68 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 13.9 mt -59.6 -43.19 93.79 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.21 -42.33 93.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.582 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.89 -39.43 85.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.804 HD21 ' NE2' ' B' ' 98' ' ' HIS . 36.7 mt -62.07 -41.71 98.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.887 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.567 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 75.5 m80 -60.04 -40.2 88.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.04 -38.51 91.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.217 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -62.69 -39.88 95.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.24 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.43 179.67 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.65 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.9 mt . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.601 0.238 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.39 -47.33 79.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.942 0.401 . . . . 0.0 110.396 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -66.7 -37.81 85.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.125 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.483 HG11 HD11 ' B' ' 58' ' ' LEU . 74.9 t -62.74 -42.56 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.371 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.65 HG23 ' O ' ' B' ' 4' ' ' LEU . 75.8 t -60.14 -45.17 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.896 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.09 -40.59 85.74 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.0 -42.17 96.92 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 11' ' ' LEU . 83.6 mt -63.01 -42.78 99.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.794 0.331 . . . . 0.0 110.382 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.06 -44.41 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.691 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.98 -43.82 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.94 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.09 -46.34 91.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.872 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 68.1 m -59.94 -44.28 94.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.059 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.99 -41.89 99.8 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.16 -42.14 99.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.483 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.89 -48.88 78.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.878 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.76 -45.7 93.32 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -54.45 -43.51 71.71 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.81 -41.97 99.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.688 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -58.98 -48.94 79.75 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.468 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.7 m-85 -60.22 -42.06 94.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.634 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.91 95.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.694 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.95 88.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.613 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.4 -46.23 91.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.309 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -55.59 -43.14 75.72 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.692 ' NE2' ' HB1' ' B' ' 36' ' ' ALA . 98.0 mt-30 -60.17 -40.99 91.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.869 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.12 94.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.765 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.95 -29.36 70.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.004 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -83.22 -5.9 59.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.405 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.0 18.17 63.7 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -100.64 78.01 1.95 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.762 0.315 . . . . 0.0 110.331 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -65.09 -33.49 76.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.635 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.84 77.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.048 0.451 . . . . 0.0 110.757 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.692 ' HB1' ' NE2' ' B' ' 28' ' ' GLN . . . -65.25 -34.78 79.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.393 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.0 86.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.543 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.31 -42.05 98.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.597 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.43 93.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.659 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' MET . . . . . 0.596 ' CE ' ' NE2' ' B' ' 28' ' ' GLN . 46.1 mtt -65.44 -40.81 93.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.445 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 18.6 mmt -62.41 -43.02 99.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.599 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.32 -45.9 91.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.414 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.7 -41.97 98.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.3 t -61.53 -46.59 89.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.529 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.36 -43.06 96.89 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.345 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 94.0 mtp -61.55 -42.73 99.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.295 0.569 . . . . 0.0 110.625 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.8 98.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.158 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.483 HD21 ' CB ' ' B' ' 18' ' ' ALA . 96.4 mt -65.96 -39.96 90.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.741 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 51.0 t-20 -61.03 -41.47 96.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.349 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.34 -39.69 92.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.185 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.532 ' HB1' HD21 ' B' ' 81' ' ' LEU . . . -67.38 -44.94 77.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.472 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.93 -38.66 89.29 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.302 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.24 -43.89 98.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.277 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.67 -43.98 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.998 0.428 . . . . 0.0 110.081 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.765 HE22 HD23 ' B' ' 74' ' ' LEU . 0.6 OUTLIER -60.11 -41.73 93.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.276 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 74.5 m -56.74 -43.94 81.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.0 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.04 -40.0 95.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.489 HD22 ' CD2' ' B' ' 4' ' ' LEU . 98.3 mt -63.15 -30.82 71.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.669 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -86.64 -31.24 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.745 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.865 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.2 t . . . . . 0 N--CA 1.463 0.182 0 CA-C-O 120.889 0.376 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.541 ' O ' HG23 ' B' ' 75' ' ' VAL . 97.8 p -130.57 166.12 21.29 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.5 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.38 -43.69 96.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.538 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.591 HG13 HG21 ' B' ' 8' ' ' VAL . 56.0 t -62.65 -47.05 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.659 -178.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.765 HD23 HE22 ' B' ' 55' ' ' GLN . 82.7 mt -64.23 -41.89 96.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 71' ' ' SER . 53.5 t -60.36 -47.9 90.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.354 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -58.58 -45.83 88.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.303 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.29 97.14 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.861 0.362 . . . . 0.0 110.402 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -63.88 -40.42 96.47 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.209 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.472 ' O ' HG23 ' B' ' 83' ' ' THR . 40.3 tp -57.27 -47.96 80.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.38 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -67.33 -47.62 69.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.781 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.532 HD21 ' HB1' ' B' ' 51' ' ' ALA . 14.2 mt -62.16 -45.0 95.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.32 -44.28 96.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.238 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.472 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.6 p -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.151 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.39 -47.82 82.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.58 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.47 -48.53 80.45 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.474 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.74 -45.32 94.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.1 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.54 88.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.876 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.57 -45.36 94.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.251 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.463 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.3 mt-10 -61.17 -49.11 78.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.146 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.22 -41.21 94.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.0 109.975 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.495 HD13 ' HB1' ' B' ' 22' ' ' ALA . 31.9 mt -59.91 -42.05 88.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.216 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.445 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 98.9 m -58.56 -45.75 88.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.056 0.455 . . . . 0.0 109.818 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.92 -42.22 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.557 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.0 mt -59.96 -43.25 95.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.21 -42.22 92.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.56 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -59.8 -39.56 85.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.759 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.811 HD21 ' NE2' ' C' ' 98' ' ' HIS . 35.8 mt -62.15 -41.44 98.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.829 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.804 ' NE2' HD21 ' A' ' 97' ' ' LEU . 75.6 m80 -60.02 -40.44 89.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.78 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -63.9 -38.4 90.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.142 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -62.94 -39.8 95.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.177 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.406 179.703 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.646 ' O ' HG23 ' C' ' 8' ' ' VAL . 98.5 mt . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.546 0.212 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.4 -47.35 79.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.859 0.361 . . . . 0.0 110.396 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -66.65 -37.24 84.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.354 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.502 HG11 HD11 ' C' ' 58' ' ' LEU . 74.9 t -63.39 -42.01 94.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.387 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.646 HG23 ' O ' ' C' ' 4' ' ' LEU . 74.7 t -60.63 -45.1 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.012 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.04 -40.52 85.32 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.11 -42.3 96.64 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.8 -42.84 99.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.321 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.07 -44.3 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.688 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.87 -44.12 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.057 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -61.01 -46.73 89.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.819 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 67.4 m -59.33 -44.29 92.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.197 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.96 -42.02 99.77 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.25 -41.93 99.12 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.487 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -57.74 -49.5 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.36 -45.98 91.58 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.2 m -54.31 -43.65 71.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.45 -42.24 99.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.762 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.492 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -58.49 -49.3 77.84 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.463 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.5 m-85 -60.17 -42.32 94.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.477 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.47 96.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.82 89.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.524 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.67 -45.67 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.484 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -56.04 -42.57 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' GLN . . . . . 0.692 ' NE2' ' HB1' ' C' ' 36' ' ' ALA . 97.8 mt-30 -60.88 -40.54 93.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.96 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.61 95.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.796 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.39 -29.72 70.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.041 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -83.02 -5.52 59.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.458 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.43 18.54 64.04 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.87 78.36 1.94 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.826 0.346 . . . . 0.0 110.317 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -65.32 -33.64 76.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.59 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.73 78.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.96 0.41 . . . . 0.0 110.644 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ALA . . . . . 0.692 ' HB1' ' NE2' ' C' ' 28' ' ' GLN . . . -65.41 -35.14 80.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.422 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.8 87.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.487 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.662 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.51 93.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.694 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' MET . . . . . 0.576 ' CE ' ' NE2' ' C' ' 28' ' ' GLN . 46.0 mtt -65.42 -40.62 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.572 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.483 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 19.2 mmt -62.25 -43.35 99.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.575 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.41 -45.85 91.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.443 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.7 -41.97 98.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.31 -46.69 89.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.561 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -60.55 -42.83 97.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.343 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.0 mtp -61.7 -42.66 99.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.259 0.552 . . . . 0.0 110.495 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.13 98.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.322 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.487 HD21 ' CB ' ' C' ' 18' ' ' ALA . 96.9 mt -65.73 -39.81 91.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.731 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 49' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 51.3 t-20 -61.38 -41.57 97.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.352 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -64.92 -40.11 94.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.048 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' C' ' 81' ' ' LEU . . . -67.1 -45.38 77.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.423 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -61.5 -38.5 87.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.302 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 41.1 mt -61.73 -43.37 98.99 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.311 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -64.03 -43.87 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.015 0.436 . . . . 0.0 109.977 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.763 HE22 HD23 ' C' ' 74' ' ' LEU . 0.6 OUTLIER -60.23 -41.92 94.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.237 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 76.7 m -56.37 -44.17 79.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.176 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.92 -40.15 95.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.496 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.502 HD11 HG11 ' C' ' 7' ' ' VAL . 98.4 mt -62.82 -30.76 71.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.8 -179.554 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.553 ' O ' HG23 ' C' ' 75' ' ' VAL . 99.5 p . . . . . 0 C--O 1.226 -0.14 0 CA-C-O 121.035 0.445 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.95 -43.22 99.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.627 -177.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.538 HG13 HG21 ' C' ' 8' ' ' VAL . 53.7 t -63.69 -47.2 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 130.181 3.393 . . . . 0.0 110.621 -178.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.763 HD23 HE22 ' C' ' 55' ' ' GLN . 85.9 mt -66.68 -41.68 87.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.066 0.46 . . . . 0.0 110.943 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.553 HG23 ' O ' ' C' ' 71' ' ' SER . 54.4 t -60.61 -48.02 90.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.251 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -58.94 -45.62 89.98 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.75 96.82 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.824 0.345 . . . . 0.0 110.358 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -64.44 -40.22 95.32 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.484 ' O ' HG23 ' C' ' 83' ' ' THR . 39.0 tp -57.36 -47.87 80.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.485 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -67.35 -48.14 68.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.727 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 81' ' ' LEU . . . . . 0.539 HD21 ' HB1' ' C' ' 51' ' ' ALA . 14.1 mt -61.68 -45.37 94.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.844 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.77 -44.41 96.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.381 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.484 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.0 p -62.67 -47.36 84.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.186 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.02 -47.77 83.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.613 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -58.52 -48.48 80.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.491 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.84 -45.35 94.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.164 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.94 -46.72 87.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.945 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.33 -45.6 93.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.113 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.94 -49.04 79.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 0.0 110.13 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.36 -41.49 93.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.147 0.499 . . . . 0.0 109.984 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.492 HD13 ' HB1' ' C' ' 22' ' ' ALA . 32.1 mt -59.66 -42.24 87.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.39 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.483 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 98.1 m -58.23 -45.92 86.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.065 0.459 . . . . 0.0 109.918 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.84 -42.25 99.67 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.0 mt -59.94 -42.92 95.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.32 -42.22 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.602 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.05 -39.15 84.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.778 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.51 HD21 ' NE2' ' A' ' 98' ' ' HIS . 37.5 mt -62.19 -41.88 98.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.914 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.811 ' NE2' HD21 ' B' ' 97' ' ' LEU . 76.0 m80 -59.79 -40.4 88.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.794 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -63.95 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.159 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.79 -39.76 95.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.209 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.256 179.835 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.518 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 121.89 0.852 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.461 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.71 142.97 36.84 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.02 156.23 38.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.046 -1.034 . . . . 0.0 109.558 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.1 149.17 28.51 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.16 152.31 18.94 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.04 -1.037 . . . . 0.0 108.434 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.8 144.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.7 136.66 36.92 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.144 0.973 . . . . 0.0 110.125 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 308' ' ' ILE . . . . . 0.404 HD13 HG21 ' D' ' 308' ' ' ILE . 50.7 mt -85.03 114.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 177.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.92 -4.28 19.29 Favored 'General case' 0 C--N 1.265 -3.106 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.77 85.66 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 119.658 -1.901 . . . . 0.0 110.591 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -45.39 -47.7 12.62 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 124.72 3.613 . . . . 0.0 114.181 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.443 ' ND2' ' ND1' ' D' ' 315' ' ' HIS . 50.5 p30 -102.13 27.52 6.58 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 116.075 -2.25 . . . . 0.0 108.779 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.52 -145.21 48.85 Favored Glycine 0 N--CA 1.496 2.697 0 C-N-CA 117.74 -2.172 . . . . 0.0 109.623 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.4 tp -97.58 80.67 2.85 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.866 -1.373 . . . . 0.0 109.555 -176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 315' ' ' HIS . . . . . 0.443 ' ND1' ' ND2' ' D' ' 312' ' ' ASN . 7.9 p-80 -83.15 174.46 10.78 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 117.896 -1.522 . . . . 0.0 112.132 -178.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.8 p -30.5 -69.03 0.07 Allowed 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 117.277 2.325 . . . . 0.0 117.277 -176.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.536 ' N ' ' OG1' ' D' ' 316' ' ' THR . 4.2 tpt85 -48.71 -60.57 4.36 Favored Pre-proline 0 N--CA 1.494 1.73 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.529 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.13 -32.28 63.82 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.937 1.758 . . . . 0.0 111.485 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.47 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.0 -38.85 86.76 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.476 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.78 72.73 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.89 -39.44 94.2 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 118.036 -1.466 . . . . 0.0 109.504 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.66 -45.36 93.16 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 122.61 1.195 . . . . 0.0 108.651 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.618 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 53.0 t -62.68 -42.17 95.07 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.285 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.649 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.517 ' NZ ' HD13 ' A' ' 13' ' ' ILE . 80.1 mttt -63.98 -40.23 95.92 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.268 -0.895 . . . . 0.0 109.751 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.524 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.66 80.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.49 -0.756 . . . . 0.0 109.578 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.02 91.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.645 -1.284 . . . . 0.0 109.411 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 327' ' ' LYS . . . . . 0.618 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.3 mttp -61.35 -16.23 44.13 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.337 -0.852 . . . . 0.0 113.264 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.55 86.1 Favored Glycine 0 N--CA 1.479 1.541 0 O-C-N 119.946 -1.721 . . . . 0.0 109.344 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.411 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.48 143.34 32.84 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.295 -1.709 . . . . 0.0 109.944 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.67 -30.03 59.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.206 -0.934 . . . . 0.0 112.293 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.83 158.59 10.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 119.765 -1.835 . . . . 0.0 112.796 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.98 130.16 35.25 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 102.827 -3.027 . . . . 0.0 102.827 171.295 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.65 136.53 60.54 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 O-C-N 121.101 -1.0 . . . . 0.0 109.34 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.84 143.23 50.93 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-O 123.041 1.401 . . . . 0.0 110.015 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.8 t -108.16 129.92 61.59 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.754 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 173.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.417 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.8 m -127.45 119.69 26.68 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.898 -1.126 . . . . 0.0 108.894 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.67 122.57 39.1 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.507 -0.746 . . . . 0.0 109.921 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.72 39.05 24.51 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.917 -1.114 . . . . 0.0 112.797 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 10.98 83.66 Favored Glycine 0 N--CA 1.502 3.047 0 O-C-N 119.97 -1.706 . . . . 0.0 112.572 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.81 136.3 54.52 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.81 158.54 33.13 Favored 'General case' 0 C--N 1.275 -2.671 0 CA-C-O 123.8 1.762 . . . . 0.0 112.424 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.36 31.31 Favored 'General case' 0 C--N 1.279 -2.497 0 CA-C-N 112.501 -2.136 . . . . 0.0 108.604 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.59 136.02 48.9 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 105.553 -2.018 . . . . 0.0 105.553 173.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.81 47.94 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.69 -1.256 . . . . 0.0 110.753 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.45 12.93 31.57 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.679 -1.263 . . . . 0.0 109.39 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 84.5 p -133.05 104.22 6.42 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 122.195 0.998 . . . . 0.0 110.091 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 43.1 tp -57.34 -37.87 73.22 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.94 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -58.9 -51.37 70.32 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.539 -1.351 . . . . 0.0 113.063 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.06 -32.38 70.46 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 119.479 -2.013 . . . . 0.0 109.262 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.8 -33.76 75.87 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.932 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -67.7 -10.43 52.31 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.607 -0.683 . . . . 0.0 110.004 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.3 p -89.75 -7.81 53.65 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.95 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.2 159.33 15.33 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.304 -0.873 . . . . 0.0 110.202 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.79 2.96 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 106.952 -2.459 . . . . 0.0 106.952 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.0 mt -119.59 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.226 0 O-C-N 120.738 -1.448 . . . . 0.0 107.453 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.418 ' CG2' HG21 ' C' ' 56' ' ' THR . 69.3 p -81.45 172.52 13.42 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 118.74 -1.184 . . . . 0.0 109.259 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.67 140.91 57.29 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.879 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.24 78.89 Favored Glycine 0 N--CA 1.5 2.962 0 C-N-CA 120.002 -1.095 . . . . 0.0 111.329 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.37 135.94 34.08 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.91 -1.347 . . . . 0.0 110.622 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.59 123.72 49.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.11 160.07 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 119.973 -1.705 . . . . 0.0 110.656 178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.417 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.2 m -108.89 128.41 54.89 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.539 -1.35 . . . . 0.0 107.619 175.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.93 121.38 60.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.401 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.2 50.7 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.58 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.5 47.27 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.788 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.518 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.74 6.4 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 118.561 -1.256 . . . . 0.0 108.025 178.233 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.29 40.17 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.031 -2.033 . . . . 0.0 110.385 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.62 82.58 Favored 'General case' 0 C--N 1.275 -2.631 0 CA-C-N 114.42 -0.89 . . . . 0.0 112.209 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.1 36.77 3.56 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 115.843 -2.343 . . . . 0.0 108.561 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.51 65.73 Favored 'General case' 0 N--CA 1.521 3.123 0 N-CA-C 116.871 2.174 . . . . 0.0 116.871 -174.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.414 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.93 -45.59 27.3 Favored 'General case' 0 N--CA 1.509 2.503 0 O-C-N 119.611 -1.931 . . . . 0.0 110.95 -176.538 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.765 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.56 -40.77 97.83 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.04 -49.55 77.45 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 117.464 -1.695 . . . . 0.0 110.024 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.78 -42.25 89.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 CA-C-O 122.248 1.023 . . . . 0.0 109.252 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.9 -47.9 76.6 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-O 122.101 0.953 . . . . 0.0 108.763 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.765 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.75 -38.39 76.78 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.687 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.7 mt -75.63 -28.57 58.86 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.327 -1.483 . . . . 0.0 110.863 -174.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.53 71.2 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.498 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.85 -49.35 62.64 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.524 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.21 -45.15 84.08 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.004 -1.079 . . . . 0.0 110.564 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.49 -37.31 85.48 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.893 -1.13 . . . . 0.0 111.486 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.85 -31.85 61.75 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.041 -1.037 . . . . 0.0 110.275 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.92 -32.25 45.59 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.466 -0.772 . . . . 0.0 111.348 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.18 125.51 12.52 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 124.355 2.026 . . . . 0.0 112.895 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 11.1 pt-20 . . . . . 0 C--N 1.278 -2.537 0 CA-C-N 111.065 -2.789 . . . . 0.0 110.133 -177.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 8' ' ' VAL . 98.3 mt . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -64.41 -45.27 88.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.915 0.388 . . . . 0.0 110.33 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.99 -35.51 80.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.312 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.429 HG11 HD11 ' A' ' 58' ' ' LEU . 79.4 t -64.33 -42.59 95.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.603 HG21 HG13 ' A' ' 73' ' ' VAL . 86.8 t -60.45 -44.71 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.971 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -58.51 -42.04 86.81 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.16 97.46 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.44 -43.4 97.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.188 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.52 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.726 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.517 HD13 ' NZ ' ' D' ' 324' ' ' LYS . 86.6 mt -63.66 -44.25 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.972 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -60.81 -46.28 91.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.809 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -60.35 -43.98 95.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.924 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.13 99.09 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.482 ' CG ' HH21 ' D' ' 317' ' ' ARG . 85.5 mt-30 -63.56 -43.04 98.22 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.15 -49.82 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.877 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.484 HH12 ' HB2' ' A' ' 87' ' ' ALA . 63.7 ttm-85 -59.97 -47.15 86.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -53.37 -43.38 67.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.56 -42.1 99.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.734 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.86 75.89 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.78 -44.55 93.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.626 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.8 93.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.785 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.87 81.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.698 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.04 -45.22 95.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.423 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -55.73 -42.32 75.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.203 0.525 . . . . 0.0 109.585 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.58 -41.9 95.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.875 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.06 90.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.748 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.86 -29.24 70.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.181 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -81.88 -5.06 57.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.513 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.49 17.09 64.91 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -99.29 77.81 2.16 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.742 0.306 . . . . 0.0 110.305 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -65.38 -34.81 79.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.649 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.37 74.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.083 0.468 . . . . 0.0 110.733 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.62 81.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.408 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.26 80.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -62.12 -44.82 95.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.554 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.52 96.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.775 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.4 mtp -65.63 -39.76 91.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.73 -41.7 98.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.624 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -63.46 -41.61 98.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.975 0.417 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.74 -40.85 97.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.9 t -61.63 -45.15 95.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.562 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -60.66 -42.35 96.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.341 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.2 tpp -60.97 -43.34 98.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.221 0.534 . . . . 0.0 110.557 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.3 98.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.167 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.406 HD12 ' NE ' ' A' ' 88' ' ' ARG . 90.6 mt -66.47 -39.47 88.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.704 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -60.11 -42.81 95.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.3 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.06 -38.91 92.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.255 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.52 75.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.47 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -61.35 -39.02 89.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.432 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.75 -44.66 96.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.301 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.7 -43.11 93.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.973 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.476 HE22 ' CG1' ' A' ' 59' ' ' ILE . 10.2 tm0? -59.96 -44.0 94.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.212 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -56.87 -42.25 79.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.034 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.08 -39.23 91.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.954 0.407 . . . . 0.0 110.5 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.54 HD22 HD22 ' A' ' 4' ' ' LEU . 95.9 mt -63.46 -29.64 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.677 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.476 ' CG1' HE22 ' A' ' 55' ' ' GLN . 96.7 mt -86.23 -31.61 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.795 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.468 179.869 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.481 ' CG1' ' OE1' ' B' ' 76' ' ' GLU . 2.3 m . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 120.928 0.394 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 75' ' ' VAL . 84.2 p -129.97 162.68 28.12 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.6 mt -58.6 -41.73 86.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.654 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.603 HG13 HG21 ' A' ' 8' ' ' VAL . 79.8 t -64.44 -46.04 94.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.381 . . . . 0.0 110.498 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.36 -41.58 98.84 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 120.983 0.421 . . . . 0.0 110.881 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 71' ' ' SER . 64.7 t -60.06 -46.74 93.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.223 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -58.86 -45.51 89.95 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.342 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.52 93.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.646 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.87 -41.89 97.65 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.165 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 83' ' ' THR . 44.9 tp -57.42 -46.17 83.81 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.458 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -67.45 -47.4 70.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.752 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.51 -45.35 94.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.839 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.0 mmm -61.69 -43.75 98.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.171 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.1 p -63.37 -47.03 83.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.097 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.8 m -62.22 -48.75 78.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.432 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.61 -48.74 79.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.731 0.3 . . . . 0.0 110.572 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.55 -45.3 93.55 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.112 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.484 ' HB2' HH12 ' A' ' 19' ' ' ARG . . . -59.32 -49.79 76.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.811 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.406 ' NE ' HD12 ' A' ' 48' ' ' LEU . 73.8 ttp85 -58.49 -45.26 89.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.157 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -60.2 -46.94 88.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.067 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.35 -41.64 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.21 0.528 . . . . 0.0 109.842 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.49 -42.57 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.305 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -58.51 -45.34 89.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.022 0.439 . . . . 0.0 109.864 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.469 ' OE1' HD13 ' B' ' 94' ' ' LEU . 97.0 mt-10 -62.89 -41.95 99.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.599 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.517 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.7 mt -59.42 -42.99 93.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.61 -42.57 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.536 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.62 -38.24 86.91 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.6 mt -63.14 -41.37 99.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.851 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.4 m80 -59.8 -40.45 88.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.55 -39.59 84.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.15 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.81 -36.1 82.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.368 179.748 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.568 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.8 mt . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.535 0.207 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.63 -45.22 87.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.96 0.409 . . . . 0.0 110.368 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -67.01 -35.64 80.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.175 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.439 HG11 HD11 ' B' ' 58' ' ' LEU . 78.9 t -64.23 -42.44 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.312 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.582 HG21 HG13 ' B' ' 73' ' ' VAL . 85.0 t -60.72 -44.64 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.848 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.68 -41.83 87.12 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.04 97.33 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.209 -1.157 . . . . 0.0 110.209 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.51 -43.42 97.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.4 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.6 -44.41 98.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.718 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.61 -44.2 98.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.962 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -61.16 -45.99 92.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.859 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -60.43 -43.72 96.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.078 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.43 -43.19 98.61 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.42 -43.19 98.21 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.425 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.2 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.842 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.488 HH12 ' HB2' ' B' ' 87' ' ' ALA . 63.4 ttm-85 -59.9 -47.13 87.01 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -53.6 -42.92 68.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.81 -42.14 99.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.685 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.81 76.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.79 -44.5 93.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.634 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.94 94.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.736 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.14 -42.95 81.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.622 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.13 -45.2 95.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.309 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -55.83 -42.37 75.62 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.58 -41.66 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.904 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.35 91.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.681 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.39 -29.66 70.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.083 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.6 -5.11 57.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.332 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.81 16.41 65.64 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -98.87 78.03 2.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.777 0.322 . . . . 0.0 110.313 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -65.73 -34.95 79.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.658 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.21 76.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.095 0.474 . . . . 0.0 110.81 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.8 82.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.423 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.02 -47.7 79.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -61.66 -45.49 93.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.522 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.99 96.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.717 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 45.9 mtp -65.4 -39.81 92.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.465 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 2.4 mmt -61.63 -41.95 98.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.582 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -63.4 -41.48 98.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.47 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.73 -41.06 98.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.225 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -61.38 -45.37 94.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.549 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -60.45 -42.37 96.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.285 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 35.8 tpp -61.06 -42.92 99.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.287 0.565 . . . . 0.0 110.62 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.04 99.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.171 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' B' ' 18' ' ' ALA . 92.1 mt -66.71 -39.53 88.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.777 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ASN . . . . . 0.419 ' C ' ' OD1' ' B' ' 49' ' ' ASN . 49.4 t-20 -59.93 -42.97 95.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.311 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.88 -39.49 93.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.17 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.64 -44.61 77.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.428 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.53 -38.85 88.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.301 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 44.3 mt -60.79 -44.34 96.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.326 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -66.19 -42.65 91.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 0.0 110.055 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.48 HE22 ' CG1' ' B' ' 59' ' ' ILE . 10.0 tm0? -60.28 -43.63 96.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.215 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -57.15 -42.93 81.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.913 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.39 -39.54 91.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.876 0.369 . . . . 0.0 110.529 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.516 HD22 HD22 ' B' ' 4' ' ' LEU . 96.0 mt -63.09 -29.91 71.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.727 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.48 ' CG1' HE22 ' B' ' 55' ' ' GLN . 96.7 mt -86.08 -31.72 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.704 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.536 179.788 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.454 ' CG1' ' OE1' ' C' ' 76' ' ' GLU . 2.7 m . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.873 0.368 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.45 ' O ' HG23 ' B' ' 75' ' ' VAL . 91.2 p -129.69 164.34 24.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.551 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.62 -41.81 95.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.545 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.582 HG13 HG21 ' B' ' 8' ' ' VAL . 75.0 t -63.27 -45.37 98.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.645 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.69 -41.29 98.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 71' ' ' SER . 57.6 t -60.14 -47.19 93.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.296 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.481 ' OE1' ' CG1' ' A' ' 70' ' ' VAL . 81.6 tt0 -58.58 -45.92 88.05 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.26 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.54 95.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.916 0.388 . . . . 0.0 110.406 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.496 HE21 ' CG ' ' B' ' 82' ' ' MET . 47.1 tp60 -63.78 -41.84 97.87 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.502 ' O ' HG23 ' B' ' 83' ' ' THR . 45.6 tp -57.51 -46.13 84.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.375 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -67.51 -47.45 69.93 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.694 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.41 -45.5 94.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' MET . . . . . 0.496 ' CG ' HE21 ' B' ' 78' ' ' GLN . 89.3 mmm -61.48 -44.17 97.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.502 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.2 p -62.69 -47.2 84.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.141 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 71.0 m -62.18 -48.74 78.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.622 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -58.74 -48.84 79.78 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.471 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.44 -45.32 93.62 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.129 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ALA . . . . . 0.488 ' HB2' HH12 ' B' ' 19' ' ' ARG . . . -59.3 -49.91 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.877 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 73.8 ttp85 -58.46 -45.09 89.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.262 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -60.32 -47.07 87.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.16 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' B' ' 90' ' ' LEU . 94.7 mt -65.26 -41.3 94.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.1 0.476 . . . . 0.0 110.009 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.76 -42.56 92.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.223 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.465 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 19.5 m -58.47 -45.44 88.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.083 0.468 . . . . 0.0 109.857 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.461 ' OE1' HD13 ' C' ' 94' ' ' LEU . 97.3 mt-10 -62.79 -42.25 99.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.498 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.499 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.4 mt -59.14 -43.17 91.99 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.41 -42.72 92.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.554 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.26 -38.58 87.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.763 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.2 mt -62.98 -41.04 99.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.854 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.499 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.5 m80 -59.96 -40.42 89.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.104 0.478 . . . . 0.0 109.811 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -59.61 -39.49 84.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.054 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.09 -35.96 82.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.176 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.373 179.778 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.578 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.4 mt . . . . . 0 N--CA 1.456 -0.13 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -65.13 -44.8 87.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 110.377 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -67.31 -35.46 79.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.329 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.422 HG11 HD11 ' C' ' 58' ' ' LEU . 79.0 t -64.25 -42.64 96.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.362 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.578 HG23 ' O ' ' C' ' 4' ' ' LEU . 86.0 t -60.52 -44.52 96.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.942 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.0 mtp -58.9 -42.04 88.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.49 97.83 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.1 -43.63 97.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.395 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.36 -44.58 99.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.689 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.38 -44.01 98.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.053 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -61.34 -46.33 90.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.839 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -60.04 -44.05 94.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.146 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.87 99.02 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -63.58 -43.09 97.98 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.421 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.19 -49.86 75.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.802 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.482 HH12 ' HB2' ' C' ' 87' ' ' ALA . 63.5 ttm-85 -59.99 -46.84 88.13 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -53.5 -43.2 68.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.85 -42.38 99.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.712 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.84 76.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.85 -44.52 94.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.545 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.69 94.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.706 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.27 -42.98 82.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.605 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.96 -45.25 95.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.429 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -56.03 -42.3 76.3 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.55 -41.55 94.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.115 0.483 . . . . 0.0 109.898 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.45 92.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.784 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.56 -29.17 69.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.075 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.83 -5.14 57.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.413 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.73 16.81 64.97 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -99.08 78.12 2.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.708 0.29 . . . . 0.0 110.262 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -65.63 -34.58 78.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.591 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.48 -49.02 75.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.076 0.465 . . . . 0.0 110.707 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.4 81.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.464 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -47.64 77.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -61.6 -45.27 94.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.603 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.02 95.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.733 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 46.5 mtp -65.16 -39.99 93.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 2.4 mmt -61.59 -41.82 97.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.594 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -63.39 -41.79 98.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.51 -41.0 98.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.293 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -61.3 -45.49 94.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.66 -42.07 96.3 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.387 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 36.1 tpp -61.07 -43.73 98.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.332 0.586 . . . . 0.0 110.523 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.45 98.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.291 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.421 HD21 ' CB ' ' C' ' 18' ' ' ALA . 90.6 mt -66.47 -39.75 88.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.704 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 49' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 50.7 t-20 -59.91 -42.93 94.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.375 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.65 -39.59 93.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.035 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.71 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.405 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.39 -39.16 89.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.301 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.72 -44.11 97.04 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.319 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.09 -43.1 92.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.451 . . . . 0.0 109.967 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.462 HE22 ' CG1' ' C' ' 59' ' ' ILE . 9.8 tm0? -59.92 -43.73 94.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.238 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.418 HG21 ' CG2' ' D' ' 356' ' ' THR . 18.5 m -57.2 -42.59 81.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.158 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -39.07 90.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.357 . . . . 0.0 110.481 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.515 HD22 HD22 ' C' ' 4' ' ' LEU . 96.0 mt -63.43 -29.5 70.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.462 ' CG1' HE22 ' C' ' 55' ' ' GLN . 96.9 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.858 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.471 ' O ' HG23 ' C' ' 75' ' ' VAL . 90.1 p . . . . . 0 N--CA 1.461 0.117 0 CA-C-O 121.046 0.451 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.41 -41.41 98.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.682 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.574 HG13 HG21 ' C' ' 8' ' ' VAL . 73.8 t -64.18 -46.03 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 130.061 3.344 . . . . 0.0 110.668 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.42 -40.82 93.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.09 0.471 . . . . 0.0 110.981 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.471 HG23 ' O ' ' C' ' 71' ' ' SER . 61.9 t -60.64 -47.82 91.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.17 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.454 ' OE1' ' CG1' ' B' ' 70' ' ' VAL . 80.8 tt0 -58.41 -46.0 87.31 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.305 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.66 95.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.862 0.363 . . . . 0.0 110.435 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.72 -41.69 98.04 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.264 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.486 ' O ' HG23 ' C' ' 83' ' ' THR . 45.2 tp -57.57 -46.3 84.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.503 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -67.46 -47.3 70.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.737 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.56 -45.58 93.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.748 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.5 mmm -61.56 -43.86 98.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.305 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.486 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.3 p -63.03 -47.05 84.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.195 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 71.3 m -62.3 -48.64 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.597 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.79 -48.49 81.09 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.7 0.286 . . . . 0.0 110.526 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.94 -45.34 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.096 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 87' ' ' ALA . . . . . 0.482 ' HB2' HH12 ' C' ' 19' ' ' ARG . . . -59.23 -49.88 76.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.918 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -58.26 -45.5 87.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.249 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -59.84 -47.25 86.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.14 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.1 -41.45 94.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.181 0.515 . . . . 0.0 110.091 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -60.76 -42.17 91.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.347 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.1 m -58.91 -45.01 91.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.136 0.493 . . . . 0.0 109.957 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.17 -42.09 99.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.455 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.516 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.4 mt -59.19 -42.97 92.12 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.68 -42.69 92.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.565 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.11 -38.67 87.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.707 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 97' ' ' LEU . 35.3 mt -62.79 -41.4 99.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.853 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.8 m80 -59.94 -40.36 88.68 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.71 -39.51 84.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.103 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.89 -35.85 82.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.251 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.333 179.784 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.524 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 121.965 0.888 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.86 143.04 36.56 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.22 38.37 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.974 -1.078 . . . . 0.0 109.568 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.11 149.2 28.54 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.33 18.92 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.967 -1.083 . . . . 0.0 108.42 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.87 144.36 19.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.77 136.62 37.05 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.152 0.977 . . . . 0.0 110.113 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.99 114.3 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.78 -4.34 19.44 Favored 'General case' 0 C--N 1.265 -3.08 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.814 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.77 85.68 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 119.644 -1.91 . . . . 0.0 110.634 178.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.4 -47.8 12.5 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 124.756 3.637 . . . . 0.0 114.142 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.413 ' OD1' ' CD2' ' C' ' 52' ' ' HIS . 93.5 m-20 -102.06 27.56 6.5 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 116.029 -2.268 . . . . 0.0 108.77 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.03 -142.19 47.56 Favored Glycine 0 N--CA 1.496 2.664 0 C-N-CA 117.722 -2.18 . . . . 0.0 109.591 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' D' ' 314' ' ' LEU . 13.3 tp -88.7 72.65 8.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.849 -1.383 . . . . 0.0 109.489 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 315' ' ' HIS . . . . . 0.4 ' HE1' ' OXT' ' D' ' 385' ' ' GLU . 1.3 p-80 -64.55 176.21 1.18 Allowed 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 117.914 -1.515 . . . . 0.0 112.124 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 30.8 p -41.5 -66.2 0.36 Allowed 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 117.208 2.299 . . . . 0.0 117.208 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.463 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 5.3 tmm_? -57.21 -50.9 85.55 Favored Pre-proline 0 N--CA 1.493 1.717 0 C-N-CA 120.116 -0.633 . . . . 0.0 112.504 -177.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.3 -32.17 61.99 Favored 'Trans proline' 0 N--CA 1.484 0.95 0 C-N-CA 120.64 0.893 . . . . 0.0 111.465 -178.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.473 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.04 -38.79 86.51 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.18 -0.95 . . . . 0.0 109.502 -179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.561 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.98 -39.67 72.37 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -63.99 -39.31 93.84 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 117.91 -1.516 . . . . 0.0 109.522 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.442 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.34 93.23 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.621 1.2 . . . . 0.0 108.694 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.473 HG23 ' O ' ' D' ' 319' ' ' ALA . 54.9 t -62.69 -42.22 95.28 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.612 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.489 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.0 mttt -63.96 -40.26 96.02 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.171 -0.955 . . . . 0.0 109.721 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.77 -39.57 80.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.434 -0.791 . . . . 0.0 109.641 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.04 91.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.615 -1.303 . . . . 0.0 109.409 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.37 -16.14 43.29 Favored 'General case' 0 N--CA 1.512 2.636 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.92 -10.6 86.1 Favored Glycine 0 N--CA 1.479 1.56 0 O-C-N 119.855 -1.778 . . . . 0.0 109.28 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.49 143.36 32.82 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.291 -1.711 . . . . 0.0 110.003 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.5 p -75.61 -30.06 59.42 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.307 -0.871 . . . . 0.0 112.333 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.72 158.52 10.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.81 -1.806 . . . . 0.0 112.794 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.574 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.97 130.3 35.41 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 102.828 -3.027 . . . . 0.0 102.828 171.218 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.63 60.25 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.434 0 CA-C-O 122.206 1.003 . . . . 0.0 109.25 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -125.0 143.13 51.06 Favored 'General case' 0 C--N 1.285 -2.238 0 CA-C-O 123.084 1.421 . . . . 0.0 110.005 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.1 t -108.05 129.98 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.732 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 173.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.51 119.56 26.32 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.895 -1.128 . . . . 0.0 108.954 -178.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.54 39.13 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.936 177.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.78 38.96 24.51 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.877 -1.139 . . . . 0.0 112.746 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.08 83.52 Favored Glycine 0 N--CA 1.503 3.164 0 O-C-N 119.953 -1.717 . . . . 0.0 112.511 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.85 136.28 54.54 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.83 158.56 33.12 Favored 'General case' 0 C--N 1.275 -2.634 0 CA-C-O 123.832 1.777 . . . . 0.0 112.384 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.42 31.46 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 112.413 -2.176 . . . . 0.0 108.635 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.63 135.95 48.78 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.98 -6.75 47.49 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.721 -1.237 . . . . 0.0 110.734 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.51 13.01 31.43 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.679 -1.263 . . . . 0.0 109.374 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.3 p -133.08 104.09 6.35 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 122.132 0.968 . . . . 0.0 110.088 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 347' ' ' LEU . . . . . 0.476 HD22 ' CE ' ' A' ' 9' ' ' MET . 56.3 tp -57.2 -37.88 72.86 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.948 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -58.9 -51.44 70.03 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.574 -1.329 . . . . 0.0 113.028 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.45 70.63 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 119.523 -1.985 . . . . 0.0 109.184 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.81 -33.77 75.89 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 118.956 -1.098 . . . . 0.0 109.907 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -67.71 -10.41 52.19 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.643 -0.661 . . . . 0.0 109.934 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.9 p -89.77 -7.72 53.81 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 118.138 -1.425 . . . . 0.0 110.888 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.2 mt -93.4 159.33 15.3 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.187 -0.946 . . . . 0.0 110.178 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.82 2.96 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 106.962 -2.455 . . . . 0.0 106.962 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 355' ' ' LEU . . . . . 0.438 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.4 mt -119.54 47.37 1.72 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.735 -1.45 . . . . 0.0 107.386 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.756 HG22 HG21 ' C' ' 56' ' ' THR . 5.9 p -81.43 172.57 13.37 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 118.764 -1.174 . . . . 0.0 109.218 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -60.7 140.9 57.34 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.867 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.18 79.09 Favored Glycine 0 N--CA 1.5 2.954 0 C-N-CA 120.076 -1.059 . . . . 0.0 111.391 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.39 135.9 34.09 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.94 -1.329 . . . . 0.0 110.696 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.49 123.66 48.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.13 160.09 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 C-N-CA 117.425 -1.71 . . . . 0.0 110.62 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 88.9 m -108.89 128.3 54.8 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 120.587 -1.321 . . . . 0.0 107.639 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.78 121.39 60.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 176.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.33 50.71 Favored 'General case' 0 C--N 1.286 -2.189 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -179.547 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.46 47.12 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 118.466 -1.294 . . . . 0.0 109.699 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.524 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.79 6.42 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 118.553 -1.259 . . . . 0.0 108.062 178.169 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.25 -170.36 40.18 Favored Glycine 0 C--N 1.296 -1.654 0 C-N-CA 117.99 -2.052 . . . . 0.0 110.334 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.59 82.63 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.402 -0.899 . . . . 0.0 112.174 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.1 36.84 3.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 118.963 -2.336 . . . . 0.0 108.543 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.49 -33.42 65.96 Favored 'General case' 0 N--CA 1.521 3.115 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.43 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.62 27.28 Favored 'General case' 0 N--CA 1.508 2.453 0 O-C-N 119.628 -1.92 . . . . 0.0 110.965 -176.616 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.762 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.62 -40.68 97.53 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.41 77.95 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.486 -1.686 . . . . 0.0 110.047 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.88 -42.28 88.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 CA-C-O 122.243 1.021 . . . . 0.0 109.212 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.8 -47.96 76.23 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-O 122.068 0.937 . . . . 0.0 108.758 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.762 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.8 -38.28 76.57 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.7 -178.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.2 mt -75.63 -28.57 58.85 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.38 -1.45 . . . . 0.0 110.865 -174.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.56 71.14 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.42 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.76 -49.31 63.17 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.23 -45.25 84.05 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.523 177.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.34 -37.38 85.43 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.9 -1.125 . . . . 0.0 111.546 -177.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.73 61.61 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.092 -1.005 . . . . 0.0 110.314 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.91 -32.37 45.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.558 -0.714 . . . . 0.0 111.325 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.06 125.46 12.24 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 124.341 2.02 . . . . 0.0 112.879 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.814 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.1 mt-10 . . . . . 0 C--N 1.277 -2.571 0 CA-C-N 111.167 -2.742 . . . . 0.0 110.111 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 8' ' ' VAL . 60.4 mt . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 110.48 -0.193 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -64.27 -47.26 80.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.928 0.394 . . . . 0.0 110.273 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -66.91 -38.06 85.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.232 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.9 t -62.91 -42.74 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.404 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 4' ' ' LEU . 77.0 t -59.89 -45.6 94.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.933 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.476 ' CE ' HD22 ' D' ' 347' ' ' LEU . 92.5 mtp -58.86 -41.66 87.53 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.87 -42.37 97.0 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.06 -42.62 99.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.199 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.94 -44.29 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.779 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.561 HD11 ' HB1' ' D' ' 320' ' ' ALA . 86.0 mt -63.46 -44.09 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.956 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -61.21 -46.63 89.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.816 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -60.28 -44.35 95.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.22 99.33 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.1 -43.28 98.92 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.02 78.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.72 -45.32 94.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.24 -45.05 80.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.743 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.553 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -56.82 -48.63 77.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.9 -40.24 88.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.554 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.78 88.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.782 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.63 89.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.727 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.486 ' HG ' ' HZ3' ' A' ' 30' ' ' LYS . 55.9 tp -61.28 -45.17 95.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.434 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.11 -42.1 76.31 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.11 -41.4 96.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.817 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.59 93.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.681 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HZ3' ' HG ' ' A' ' 26' ' ' LEU . 61.4 mttp -61.4 -28.72 69.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.133 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.3 -6.01 58.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.449 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 15.01 68.68 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.68 78.4 2.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.8 0.333 . . . . 0.0 110.314 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -65.99 -34.23 77.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.69 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.25 67.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.073 0.463 . . . . 0.0 110.765 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.38 -35.86 81.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.38 80.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.568 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.33 -42.53 95.86 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.642 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.5 90.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 52.3 mtt -64.81 -41.45 95.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 98.9 mmm -63.27 -41.17 99.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.631 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -62.33 -46.46 88.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.94 0.4 . . . . 0.0 110.549 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -64.06 -41.03 97.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.154 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.48 -46.75 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.728 ' NH1' HH22 ' A' ' 88' ' ' ARG . 62.0 ttm-85 -59.63 -42.99 93.95 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.304 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.94 -42.5 99.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.225 0.536 . . . . 0.0 110.539 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.201 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.12 -39.26 89.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.704 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -60.45 -43.21 97.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.222 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.15 -39.69 93.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.235 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.3 75.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -61.73 -39.13 90.48 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.365 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 mt -61.25 -43.99 97.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.318 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.19 -43.25 92.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.002 0.43 . . . . 0.0 109.964 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.9 -43.16 98.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.186 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -58.03 -42.68 85.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.067 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.71 -38.32 89.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.945 0.402 . . . . 0.0 110.555 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -65.76 -27.45 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.636 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -90.06 -32.63 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.856 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 -179.858 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.924 0.392 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 75' ' ' VAL . 96.7 p -130.45 162.93 28.07 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.0 mt -58.37 -43.49 88.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.716 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.615 HG13 HG21 ' A' ' 8' ' ' VAL . 72.2 t -64.22 -47.69 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.533 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.81 -41.18 97.94 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.045 0.45 . . . . 0.0 110.927 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 71' ' ' SER . 65.4 t -59.33 -46.98 92.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.176 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -59.65 -44.24 93.62 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.315 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.97 -44.3 89.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.682 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -63.51 -41.25 98.53 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.233 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 83' ' ' THR . 43.7 tp -57.14 -46.66 82.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.445 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -67.49 -47.1 71.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.68 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.55 -45.34 94.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.852 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -61.47 -42.75 99.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.236 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 79' ' ' LEU . 18.8 p -64.23 -45.62 87.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.158 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.5 p -62.68 -48.53 78.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.481 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 17.4 ttm -58.63 -47.76 83.31 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.563 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.64 -44.81 96.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.101 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.88 82.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.825 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.728 HH22 ' NH1' ' A' ' 45' ' ' ARG . 72.9 ttp85 -58.43 -45.25 88.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.115 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.432 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.2 mt-10 -61.62 -44.06 97.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.082 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.05 -42.79 96.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.167 0.508 . . . . 0.0 109.853 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.553 HD12 ' HB1' ' A' ' 22' ' ' ALA . 78.2 mt -60.48 -41.53 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.345 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.7 m -57.0 -45.54 82.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.52 -43.57 96.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.609 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.83 -43.4 94.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.46 -43.14 96.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.549 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -61.61 -38.35 87.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.772 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 97' ' ' LEU . 39.9 mt -62.33 -41.25 98.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.836 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -60.1 -39.28 85.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.51 -39.28 93.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.167 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.577 ' NZ ' ' CD2' ' B' ' 98' ' ' HIS . 98.5 mttt -64.73 -39.79 94.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.21 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.409 179.818 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.659 ' O ' HG23 ' B' ' 8' ' ' VAL . 60.3 mt . . . . . 0 N--CA 1.456 -0.132 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -64.24 -47.26 80.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.952 0.406 . . . . 0.0 110.335 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -66.84 -38.01 85.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.251 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.16 -42.53 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.413 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.659 HG23 ' O ' ' B' ' 4' ' ' LEU . 76.3 t -60.21 -45.21 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.887 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.19 -41.54 88.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.52 96.69 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.02 -42.58 99.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 0.0 110.322 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.15 -44.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.702 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.31 -44.18 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.953 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -61.06 -46.91 88.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.822 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -59.85 -44.71 93.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.02 -42.32 99.67 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -62.81 -43.46 98.74 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -48.83 79.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.838 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.87 -45.18 95.55 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.45 -44.87 80.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.2 -42.09 98.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.649 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.59 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -56.63 -48.73 76.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.432 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 20.6 m-85 -59.84 -40.16 87.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.71 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.97 89.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.746 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.6 -42.5 88.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.563 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.475 ' HG ' ' HZ3' ' B' ' 30' ' ' LYS . 56.4 tp -61.5 -45.23 95.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.344 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.18 -42.02 76.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.13 -41.46 96.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.872 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.69 93.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.66 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.475 ' HZ3' ' HG ' ' B' ' 26' ' ' LEU . 61.4 mttp -61.23 -28.93 69.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.115 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.24 -6.2 58.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.414 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.07 14.8 68.51 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -98.69 78.32 2.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 110.257 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -65.83 -34.45 78.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.615 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.65 -51.53 66.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.033 0.444 . . . . 0.0 110.768 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.71 81.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.416 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.08 77.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.58 -42.91 93.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.576 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.9 90.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.66 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 51.6 mtt -64.49 -41.22 96.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.612 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.556 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.7 mmm -63.58 -41.34 98.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.584 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.06 -46.82 87.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.485 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.71 -41.1 98.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -61.37 -46.55 89.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.446 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.718 ' NH1' HH22 ' B' ' 88' ' ' ARG . 61.9 ttm-85 -60.21 -42.64 95.58 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.296 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.88 -41.99 98.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.279 0.561 . . . . 0.0 110.634 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.98 98.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.121 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 48' ' ' LEU . 90.7 mt -66.61 -38.74 87.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -60.97 -43.36 98.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.282 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.06 -39.43 93.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.165 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.71 74.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.418 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.27 -39.32 89.96 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.283 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 41.2 mt -61.24 -43.88 98.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.297 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.14 -43.4 92.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.027 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.86 -43.07 98.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.231 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m -58.12 -42.68 86.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.964 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.72 -38.21 89.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.547 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.09 -27.08 67.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -90.21 -32.74 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.806 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.549 -179.788 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.803 0.335 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.645 ' O ' HG23 ' B' ' 75' ' ' VAL . 92.5 p -129.7 164.92 22.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.455 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.79 -43.46 98.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.563 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.593 HG13 HG21 ' B' ' 8' ' ' VAL . 64.7 t -63.21 -47.09 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -178.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.96 -40.89 97.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.042 0.449 . . . . 0.0 110.917 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 71' ' ' SER . 67.9 t -59.48 -46.95 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.266 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -59.67 -44.37 93.63 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.302 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.34 89.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.889 0.376 . . . . 0.0 110.485 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -63.36 -41.02 98.81 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.244 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.443 ' O ' HG23 ' B' ' 83' ' ' THR . 42.3 tp -57.53 -46.51 83.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.409 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -67.6 -47.06 70.78 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.72 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.48 -45.17 95.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.906 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.7 -43.18 99.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.216 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.443 HG23 ' O ' ' B' ' 79' ' ' LEU . 18.5 p -63.65 -45.57 89.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.119 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.51 -49.22 76.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.603 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 18.3 ttm -58.01 -48.13 80.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.479 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.51 -44.85 96.33 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.87 82.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.893 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.718 HH22 ' NH1' ' B' ' 45' ' ' ARG . 73.3 ttp85 -58.51 -45.22 89.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.251 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.43 -44.15 97.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.148 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.14 -42.61 96.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.443 . . . . 0.0 109.991 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.59 HD12 ' HB1' ' B' ' 22' ' ' ALA . 78.2 mt -60.57 -41.79 89.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.188 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.556 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 18.3 m -56.65 -45.98 81.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.088 0.471 . . . . 0.0 109.877 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.19 -43.63 97.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.488 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.66 -43.52 93.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.38 -43.34 96.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.555 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -61.21 -38.84 88.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.697 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 97' ' ' LEU . 39.4 mt -62.05 -41.46 98.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.842 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.577 ' CD2' ' NZ ' ' A' ' 100' ' ' LYS . 59.7 m80 -59.81 -39.5 85.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.749 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -62.4 -39.11 92.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.015 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' LYS . . . . . 0.569 ' NZ ' ' CD2' ' C' ' 98' ' ' HIS . 98.3 mttt -65.03 -39.55 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.19 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.679 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.68 ' O ' HG23 ' C' ' 8' ' ' VAL . 60.4 mt . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 120.62 0.248 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -64.55 -46.97 80.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 110.388 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.94 -38.12 85.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.315 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.07 -42.44 96.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.68 HG23 ' O ' ' C' ' 4' ' ' LEU . 76.9 t -60.31 -45.53 96.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.98 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -58.9 -41.48 87.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.93 -42.78 96.72 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.7 -42.56 99.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 110.338 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.93 -44.35 99.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.697 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.24 -44.19 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.011 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -61.12 -46.93 88.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.86 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -59.74 -44.82 93.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.154 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.71 -42.82 99.63 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.83 -43.06 99.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.87 79.63 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -60.92 -45.35 95.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -56.49 -44.78 80.98 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.96 -41.98 98.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.703 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.564 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -56.99 -48.75 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -59.71 -39.94 86.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.529 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.95 90.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.4 88.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.635 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.51 -45.46 94.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.431 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.1 -41.8 75.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.32 -41.48 97.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.93 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.75 92.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.867 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -61.59 -28.63 69.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.052 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -81.15 -6.04 58.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.95 14.78 68.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.6 78.01 2.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 0.0 110.289 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -65.55 -34.57 78.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.525 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.95 -51.45 66.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.071 0.463 . . . . 0.0 110.702 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.74 81.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.327 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.69 78.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.457 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.6 -42.98 93.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.517 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.92 89.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.753 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 51.7 mtt -64.57 -41.26 96.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.555 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 98.8 mmm -63.54 -41.57 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.567 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -61.82 -47.37 85.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.406 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.97 -41.48 99.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.259 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.22 -46.14 91.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.728 ' NH1' HH22 ' C' ' 88' ' ' ARG . 61.8 ttm-85 -60.64 -42.56 97.16 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.35 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.83 -42.41 99.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.352 0.596 . . . . 0.0 110.591 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.65 98.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.271 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 48' ' ' LEU . 90.7 mt -65.9 -39.4 90.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.726 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -60.63 -43.49 97.45 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.377 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.68 -39.59 93.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.013 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.82 -45.63 74.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.438 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.413 ' CD2' ' OD1' ' D' ' 312' ' ' ASN . 84.5 t60 -61.26 -39.1 89.09 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.324 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.62 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.276 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.92 -43.55 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.029 0.442 . . . . 0.0 110.01 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -60.96 -43.13 99.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.309 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.756 HG21 HG22 ' D' ' 356' ' ' THR . 17.7 m -57.74 -42.84 84.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.154 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.71 -38.12 89.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.507 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.96 -27.09 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.835 -179.808 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.65 ' O ' HG23 ' C' ' 75' ' ' VAL . 91.7 p . . . . . 0 C--O 1.226 -0.136 0 CA-C-O 121.085 0.469 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' C' ' 72' ' ' LEU . 79.9 mt -62.35 -42.83 99.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.669 -177.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.586 HG13 HG21 ' C' ' 8' ' ' VAL . 59.8 t -64.38 -47.26 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 130.05 3.34 . . . . 0.0 110.647 -178.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.23 -40.6 90.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.65 HG23 ' O ' ' C' ' 71' ' ' SER . 70.3 t -59.74 -47.43 91.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.212 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.82 -44.29 94.1 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.303 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.4 89.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.796 0.331 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.13 -41.3 99.29 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.429 ' O ' HG23 ' C' ' 83' ' ' THR . 42.6 tp -57.19 -46.7 82.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.584 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -67.5 -46.98 71.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.768 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.41 -45.58 93.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.795 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -61.39 -42.88 99.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.341 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.429 HG23 ' O ' ' C' ' 79' ' ' LEU . 18.8 p -64.23 -45.1 89.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.213 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -62.99 -48.53 78.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 18.3 ttm -58.44 -48.04 82.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.471 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.6 -44.81 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.169 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.88 82.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.928 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.728 HH22 ' NH1' ' C' ' 45' ' ' ARG . 73.1 ttp85 -58.57 -45.01 89.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.24 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.48 -44.33 97.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.189 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.0 -42.65 97.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.201 0.525 . . . . 0.0 110.043 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.564 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.1 mt -60.53 -41.71 88.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.374 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.555 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 18.3 m -56.78 -45.77 81.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.08 0.467 . . . . 0.0 109.981 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.47 -43.2 98.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.575 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.03 -43.4 95.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.46 -43.16 96.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.557 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -61.21 -38.76 87.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.797 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 97' ' ' LEU . 39.8 mt -62.02 -41.78 98.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.921 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.569 ' CD2' ' NZ ' ' B' ' 100' ' ' LYS . 60.6 m80 -59.47 -39.86 85.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.801 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.23 -39.03 91.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.096 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.83 -39.92 94.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.205 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.319 179.828 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.524 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 121.893 0.854 . . . . 0.0 108.951 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.79 142.98 36.68 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.479 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.94 156.28 38.59 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.005 -1.059 . . . . 0.0 109.516 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.07 149.25 28.62 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.23 152.24 19.04 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.021 -1.049 . . . . 0.0 108.393 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.81 144.36 19.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.66 136.6 36.96 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 122.178 0.99 . . . . 0.0 110.137 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -85.0 114.32 24.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.86 -4.2 19.48 Favored 'General case' 0 C--N 1.267 -3.016 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.816 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.77 85.64 Favored Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 119.707 -1.871 . . . . 0.0 110.683 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -45.46 -47.64 12.85 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 124.772 3.648 . . . . 0.0 114.163 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.13 27.54 6.57 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 116.062 -2.255 . . . . 0.0 108.815 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.04 -142.08 48.39 Favored Glycine 0 N--CA 1.497 2.732 0 C-N-CA 117.688 -2.196 . . . . 0.0 109.608 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.6 tp -90.08 68.07 7.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.934 -1.333 . . . . 0.0 109.494 -177.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -58.33 176.91 0.15 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 117.851 -1.54 . . . . 0.0 112.152 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 3.0 p -44.06 -65.44 0.51 Allowed 'General case' 0 N--CA 1.505 2.317 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 -176.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.486 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.3 tmt_? -56.16 -51.11 83.31 Favored Pre-proline 0 N--CA 1.493 1.711 0 C-N-CA 120.185 -0.606 . . . . 0.0 112.457 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.14 -32.2 63.74 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 120.584 0.856 . . . . 0.0 111.543 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.47 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.88 86.86 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.176 -0.953 . . . . 0.0 109.486 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.477 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.94 -39.64 72.53 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -64.0 -39.41 94.05 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 118.024 -1.471 . . . . 0.0 109.476 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.67 -45.35 93.22 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.584 1.183 . . . . 0.0 108.677 -177.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.47 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.3 t -62.68 -42.18 95.11 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.68 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.91 -40.26 96.08 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.308 -0.87 . . . . 0.0 109.779 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.71 80.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.429 -0.794 . . . . 0.0 109.623 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.02 91.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.588 -1.32 . . . . 0.0 109.382 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.3 -16.17 42.98 Favored 'General case' 0 N--CA 1.512 2.632 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.99 -10.48 86.23 Favored Glycine 0 N--CA 1.479 1.512 0 O-C-N 119.926 -1.734 . . . . 0.0 109.34 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.53 143.31 32.89 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.323 -1.693 . . . . 0.0 110.0 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.52 -30.16 59.7 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.154 -0.966 . . . . 0.0 112.303 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.84 158.57 10.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 119.826 -1.796 . . . . 0.0 112.789 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.26 35.44 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 102.853 -3.018 . . . . 0.0 102.853 171.265 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.77 136.63 60.26 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 CA-C-O 122.216 1.007 . . . . 0.0 109.258 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.97 143.22 51.0 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-O 123.1 1.429 . . . . 0.0 109.984 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.08 129.98 61.37 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.731 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 173.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.9 m -127.47 119.55 26.34 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.887 -1.133 . . . . 0.0 108.979 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.52 122.73 39.6 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.525 -0.734 . . . . 0.0 109.907 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.64 39.01 24.16 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.879 -1.138 . . . . 0.0 112.764 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 10.99 83.6 Favored Glycine 0 N--CA 1.502 3.044 0 O-C-N 119.956 -1.715 . . . . 0.0 112.533 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.82 136.3 54.53 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 177.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.79 158.57 33.02 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.784 1.754 . . . . 0.0 112.458 -176.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.37 31.32 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 112.49 -2.141 . . . . 0.0 108.572 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.6 136.02 48.88 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.73 47.45 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.705 -1.247 . . . . 0.0 110.735 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.63 12.99 31.71 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.651 -1.281 . . . . 0.0 109.364 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.1 t -133.06 104.15 6.38 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.241 1.019 . . . . 0.0 110.167 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.9 tp -57.21 -37.91 72.91 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.952 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -58.9 -51.36 70.36 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.618 -1.301 . . . . 0.0 113.039 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.11 -32.37 70.37 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.512 -1.992 . . . . 0.0 109.254 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.8 -33.78 75.91 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.989 -177.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -67.59 -10.48 52.35 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.697 -0.627 . . . . 0.0 109.96 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.7 p -89.87 -7.63 53.79 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 118.124 -1.43 . . . . 0.0 110.849 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.43 159.32 15.3 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.185 -0.947 . . . . 0.0 110.157 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.85 2.97 Favored Glycine 0 N--CA 1.484 1.865 0 N-CA-C 106.923 -2.471 . . . . 0.0 106.923 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.64 47.39 1.73 Allowed 'General case' 0 C--N 1.309 -1.163 0 O-C-N 120.694 -1.474 . . . . 0.0 107.431 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 68.8 p -81.42 172.57 13.38 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.758 -1.177 . . . . 0.0 109.305 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.68 140.92 57.3 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.844 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.38 -3.1 79.08 Favored Glycine 0 N--CA 1.501 3.014 0 C-N-CA 120.007 -1.092 . . . . 0.0 111.329 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.5 135.93 34.03 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.924 -1.339 . . . . 0.0 110.597 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.8 t -96.56 123.68 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.1 160.08 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.417 -1.713 . . . . 0.0 110.602 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.7 m -108.91 128.38 54.87 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.491 -1.38 . . . . 0.0 107.631 175.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.88 121.41 60.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.25 50.72 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -179.579 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.38 47.18 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.696 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.524 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.83 6.45 Favored 'General case' 0 C--N 1.288 -2.076 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.013 178.133 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.23 40.14 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 118.014 -2.041 . . . . 0.0 110.353 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.45 -40.62 83.1 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.361 -0.92 . . . . 0.0 112.155 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.07 36.84 3.53 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 115.895 -2.322 . . . . 0.0 108.586 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.43 -33.48 65.88 Favored 'General case' 0 N--CA 1.521 3.12 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 -174.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.43 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.6 27.28 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 119.545 -1.972 . . . . 0.0 110.982 -176.569 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.76 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.73 97.8 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.52 77.56 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 117.481 -1.688 . . . . 0.0 110.001 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 65.9 t -66.88 -42.17 88.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.234 1.016 . . . . 0.0 109.268 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.94 -47.86 76.81 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 122.1 0.953 . . . . 0.0 108.783 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.76 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.85 -38.22 76.4 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.747 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.3 mt -75.65 -28.61 58.81 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.372 -1.455 . . . . 0.0 110.899 -174.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.31 62.73 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.2 -45.15 84.04 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 118.987 -1.085 . . . . 0.0 110.605 177.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.41 -37.38 85.56 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.835 -1.166 . . . . 0.0 111.521 -177.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.86 61.67 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.155 -0.965 . . . . 0.0 110.28 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.8 -32.33 46.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.554 -0.716 . . . . 0.0 111.401 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.97 125.43 12.01 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.31 2.005 . . . . 0.0 112.879 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.816 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.1 tt0 . . . . . 0 C--N 1.278 -2.532 0 CA-C-N 111.141 -2.754 . . . . 0.0 110.097 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.644 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.0 mt . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.52 -47.36 79.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.919 0.39 . . . . 0.0 110.315 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.06 -36.57 82.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.231 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.41 HG11 HD11 ' A' ' 58' ' ' LEU . 71.2 t -64.07 -42.01 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.365 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 4' ' ' LEU . 75.4 t -60.37 -45.12 97.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.952 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -58.83 -41.15 86.2 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.54 97.41 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.96 -43.51 98.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.212 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.08 -44.23 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.843 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.477 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.0 mt -63.81 -44.39 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.001 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.436 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 48.6 t-20 -61.74 -46.59 88.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.756 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.421 ' HG ' ' CB ' ' A' ' 84' ' ' SER . 37.1 t -60.1 -44.42 94.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.016 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.05 -42.4 99.61 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.054 -1.219 . . . . 0.0 110.054 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.89 -42.29 97.52 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -49.53 76.99 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.27 -46.22 90.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -54.24 -44.04 71.4 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.5 -42.71 98.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.677 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.53 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -58.64 -49.69 76.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.43 -41.9 90.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.598 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.4 90.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.776 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.3 89.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.702 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.65 -45.5 93.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.483 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.51 -41.57 73.29 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.07 -42.02 97.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.838 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.46 -43.71 93.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.705 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.71 -29.6 69.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.22 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -83.21 -4.94 58.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.458 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.73 16.16 77.97 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.65 81.28 3.49 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.755 0.312 . . . . 0.0 110.312 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -63.65 -34.8 78.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.71 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.982 0.42 . . . . 0.0 110.706 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.84 81.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.87 77.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.627 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -60.32 -43.36 96.44 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.662 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.84 98.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.792 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.3 mtt -65.79 -40.46 91.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.483 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.553 ' CE ' HG23 ' A' ' 92' ' ' THR . 83.6 mtp -61.3 -43.98 97.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.604 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.38 -43.55 98.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.007 0.432 . . . . 0.0 110.534 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.17 -42.86 96.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.25 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.7 -48.05 83.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -59.95 -43.37 95.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.329 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.33 -42.57 98.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.125 0.488 . . . . 0.0 110.524 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.35 96.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.25 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.629 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 90.0 mt -65.21 -39.97 93.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.641 179.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -61.43 -41.81 97.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.249 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -64.61 -39.54 93.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.136 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.544 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -67.02 -45.69 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.462 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.557 ' O ' HG23 ' A' ' 56' ' ' THR . 85.0 t60 -61.17 -39.4 90.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.36 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.478 ' O ' ' OG1' ' A' ' 56' ' ' THR . 41.1 mt -60.41 -43.46 96.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.331 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.58 -42.9 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.065 0.46 . . . . 0.0 110.05 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.418 ' OE1' HD13 ' A' ' 81' ' ' LEU . 42.5 tt0 -59.48 -44.98 92.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.251 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 52' ' ' HIS . 39.9 p -57.51 -40.48 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.068 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.97 -40.9 95.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.504 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.41 HD11 HG11 ' A' ' 7' ' ' VAL . 94.9 mt -65.42 -30.44 71.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.628 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.6 mt -84.98 -32.64 7.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 179.787 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.956 0.408 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.613 ' O ' HG23 ' A' ' 75' ' ' VAL . 77.7 p -130.26 162.35 29.15 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -58.54 -42.85 88.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.61 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.621 HG13 HG21 ' A' ' 8' ' ' VAL . 63.5 t -63.12 -48.2 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.634 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.75 -40.88 98.63 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 71' ' ' SER . 76.8 t -59.86 -47.61 90.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.148 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -58.62 -46.07 87.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.261 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.47 94.11 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.795 0.331 . . . . 0.0 110.681 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -63.5 -40.24 96.56 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.159 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 83' ' ' THR . 54.3 tp -58.66 -47.13 85.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.413 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -68.44 -48.55 64.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.789 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.544 HD21 ' HB1' ' A' ' 51' ' ' ALA . 14.7 mt -62.13 -45.38 93.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.819 -178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.35 -44.43 97.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.159 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.6 p -62.03 -45.84 91.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.081 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.421 ' CB ' ' HG ' ' A' ' 15' ' ' SER . 72.7 m -62.37 -47.52 83.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.392 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.75 -48.01 82.67 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.64 0.257 . . . . 0.0 110.53 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.56 -44.81 96.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.87 0.367 . . . . 0.0 110.127 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.74 87.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.85 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.629 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 8.8 tmm_? -58.45 -45.55 88.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.078 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.13 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.053 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.72 -42.95 97.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.238 0.542 . . . . 0.0 109.878 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.53 HD12 ' HB1' ' A' ' 22' ' ' ALA . 77.7 mt -60.11 -41.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.304 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.553 HG23 ' CE ' ' A' ' 41' ' ' MET . 67.1 m -57.31 -45.81 83.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.007 0.432 . . . . 0.0 109.883 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.61 -43.68 96.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.538 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.548 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 88.2 mt -59.67 -43.11 94.09 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.32 -42.86 95.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.594 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.16 -40.78 91.1 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 97' ' ' LEU . 88.3 mt -63.17 -42.31 99.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.908 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.548 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.3 m80 -59.21 -41.99 89.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -61.46 -40.88 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.171 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -65.64 -37.58 86.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.219 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 179.849 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.63 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.1 mt . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.61 0.243 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.69 -46.93 80.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.882 0.372 . . . . 0.0 110.329 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.33 -36.4 81.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.169 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.3 -42.07 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.63 HG23 ' O ' ' B' ' 4' ' ' LEU . 76.3 t -60.16 -44.99 96.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.91 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.03 -41.57 88.11 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.46 -41.72 97.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.74 -43.56 98.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.757 0.313 . . . . 0.0 110.34 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.31 -44.04 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.664 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.85 -44.61 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.918 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 49.6 t-20 -61.64 -46.74 88.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.833 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.3 t -59.91 -44.58 94.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.135 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.76 -42.44 99.69 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.8 -42.4 97.72 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -49.56 76.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.888 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.38 -45.97 91.64 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -54.51 -44.0 72.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.43 -42.92 98.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.72 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -58.6 -49.71 76.46 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.3 -42.0 90.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.677 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.62 90.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.715 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.48 89.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.635 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.32 -45.66 93.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.321 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.59 -41.48 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.551 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.16 -41.97 97.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.903 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.65 93.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.706 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.73 -30.0 69.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.01 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -83.08 -4.93 58.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.32 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.9 16.11 77.74 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.55 81.5 3.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.32 . . . . 0.0 110.303 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -64.07 -34.49 78.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -47.8 82.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 110.793 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.43 -35.77 81.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.44 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.96 77.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.509 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.18 -43.31 95.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.573 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.87 98.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.724 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 60.6 mtt -65.93 -40.41 91.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.464 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.595 ' HE1' HG23 ' B' ' 92' ' ' THR . 83.3 mtp -61.26 -44.06 97.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.603 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.41 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.24 -43.15 95.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.306 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -60.54 -47.83 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.541 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -60.27 -43.21 96.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.343 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.2 mmm -61.19 -42.48 98.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.309 0.576 . . . . 0.0 110.665 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.61 95.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.179 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.625 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 89.4 mt -64.97 -40.25 94.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.77 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.0 -41.96 97.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.36 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.71 -39.46 93.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.132 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.533 ' HB1' HD21 ' B' ' 81' ' ' LEU . . . -66.89 -45.88 76.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.444 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' HIS . . . . . 0.564 ' O ' HG23 ' B' ' 56' ' ' THR . 85.2 t60 -61.14 -39.18 89.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.332 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.481 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.7 mt -60.68 -43.23 97.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.314 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.7 -43.09 93.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.034 0.445 . . . . 0.0 110.022 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.414 ' OE1' HD13 ' B' ' 81' ' ' LEU . 42.1 tt0 -59.38 -44.82 92.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.209 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 52' ' ' HIS . 40.2 p -57.63 -40.83 80.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.005 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.72 -41.16 96.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.858 0.361 . . . . 0.0 110.514 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.77 -31.26 72.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.709 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 84.3 mt -84.36 -32.74 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.769 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.544 -179.896 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.859 0.362 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.609 ' O ' HG23 ' B' ' 75' ' ' VAL . 57.8 p -129.34 164.1 24.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 -178.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.78 -42.93 98.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.551 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.618 HG13 HG21 ' B' ' 8' ' ' VAL . 57.5 t -61.92 -47.23 94.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.601 -178.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.51 -40.45 97.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.083 0.468 . . . . 0.0 110.964 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 71' ' ' SER . 71.6 t -60.02 -47.26 92.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.251 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -59.33 -45.96 89.92 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.264 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.76 94.48 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.896 0.379 . . . . 0.0 110.4 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -63.3 -40.76 98.24 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.171 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.548 ' O ' HG23 ' B' ' 83' ' ' THR . 53.0 tp -58.36 -46.75 85.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.39 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -68.85 -48.59 63.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.739 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.533 HD21 ' HB1' ' B' ' 51' ' ' ALA . 15.1 mt -62.06 -45.24 94.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -178.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.36 -44.35 97.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.194 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.548 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.6 p -62.21 -45.61 92.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.156 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 72.4 m -62.3 -47.96 81.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 64.9 ttp -58.38 -48.16 81.53 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.459 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.51 -44.85 96.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.121 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.3 88.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.843 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.625 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 8.8 tmm_? -59.0 -45.35 90.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.266 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.08 -43.51 98.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.189 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.8 -42.79 97.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.056 0.455 . . . . 0.0 110.025 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.493 HD12 ' HB1' ' B' ' 22' ' ' ALA . 74.7 mt -59.91 -41.82 87.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.207 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.595 HG23 ' HE1' ' B' ' 41' ' ' MET . 70.8 m -56.8 -45.86 81.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.058 0.456 . . . . 0.0 109.887 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.38 -44.09 95.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.493 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.529 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 88.7 mt -59.32 -43.43 92.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.11 -43.04 95.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.543 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -59.78 -41.05 90.28 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.02 -42.72 99.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.792 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 65.0 m80 -58.77 -41.89 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.51 -41.06 96.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.114 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -65.57 -37.81 87.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.22 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 37.1 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.425 179.791 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.654 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.6 mt . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.615 0.245 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.66 -47.13 79.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 0.0 110.425 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.04 -36.93 83.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.314 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.48 -42.3 95.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.355 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.654 HG23 ' O ' ' C' ' 4' ' ' LEU . 76.1 t -60.34 -44.92 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.972 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.2 mtp -59.03 -41.49 87.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.55 -41.69 97.77 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.69 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.396 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.27 -44.07 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.753 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.76 -44.49 98.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.065 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.443 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 49.4 t-20 -61.71 -46.79 88.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.736 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.7 t -59.88 -44.25 94.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.17 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -42.6 99.39 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -63.68 -42.15 98.07 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.26 -49.77 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.42 -46.15 91.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.4 m -54.44 -44.14 72.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.16 -42.71 99.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.673 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.511 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -58.88 -49.74 76.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.35 -41.96 90.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.541 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.63 -41.47 90.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.695 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.0 88.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.607 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.03 -45.36 93.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.427 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.7 -41.55 73.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.14 -41.89 97.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.868 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.56 -43.37 93.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.774 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.16 -29.57 69.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.088 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -83.18 -5.08 59.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.428 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.14 16.21 77.08 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.07 81.42 3.37 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.877 0.37 . . . . 0.0 110.256 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.84 -34.69 78.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -47.94 81.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.048 0.451 . . . . 0.0 110.72 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.99 81.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.365 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.7 -49.12 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.493 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -60.01 -43.42 95.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.541 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.08 97.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.728 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 59.9 mtt -65.54 -40.69 93.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.563 ' CE ' HG23 ' C' ' 92' ' ' THR . 84.0 mtp -61.19 -44.07 97.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.628 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.44 -43.62 98.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.456 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.88 -43.05 97.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.4 m -60.76 -47.58 85.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.548 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -60.27 -43.29 96.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.405 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.3 -42.61 98.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.366 0.603 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.85 97.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.315 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.618 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 90.1 mt -64.98 -40.65 95.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.769 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -60.81 -41.68 96.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.354 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.55 -39.97 94.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.995 0.426 . . . . 0.0 110.011 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.541 ' HB1' HD21 ' C' ' 81' ' ' LEU . . . -66.67 -46.33 76.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.351 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.57 ' O ' HG23 ' C' ' 56' ' ' THR . 85.1 t60 -60.51 -39.2 86.92 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.359 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' C' ' 56' ' ' THR . 39.9 mt -60.91 -43.05 99.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.297 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.81 -42.96 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.062 0.458 . . . . 0.0 110.011 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.423 ' OE1' HD13 ' C' ' 81' ' ' LEU . 42.3 tt0 -59.55 -44.91 93.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.217 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.57 HG23 ' O ' ' C' ' 52' ' ' HIS . 40.6 p -57.48 -40.47 78.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.131 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.08 -41.08 95.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 0.0 110.435 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' C' ' 58' ' ' LEU . 95.3 mt -64.94 -30.91 71.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.795 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 83.0 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.796 -179.863 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.607 ' O ' HG23 ' C' ' 75' ' ' VAL . 54.0 p . . . . . 0 C--O 1.226 -0.146 0 CA-C-O 121.069 0.461 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.41 -42.19 99.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.622 -177.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.57 HG13 HG21 ' C' ' 8' ' ' VAL . 53.8 t -63.22 -47.5 91.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 130.151 3.381 . . . . 0.0 110.593 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.54 -40.34 92.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.081 0.467 . . . . 0.0 110.99 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.607 HG23 ' O ' ' C' ' 71' ' ' SER . 74.2 t -60.3 -47.54 91.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.22 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.35 -46.05 89.7 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.32 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.84 94.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.896 0.379 . . . . 0.0 110.414 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -63.15 -40.64 98.17 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.331 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.56 ' O ' HG23 ' C' ' 83' ' ' THR . 51.4 tp -58.26 -47.15 84.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.485 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -68.56 -48.88 63.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.734 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 81' ' ' LEU . . . . . 0.541 HD21 ' HB1' ' C' ' 51' ' ' ALA . 15.0 mt -61.73 -45.2 94.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.837 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.41 -44.47 97.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.335 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.56 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.8 p -62.11 -45.73 92.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.204 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 72.8 m -62.2 -47.86 82.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.539 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.39 -48.12 81.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.687 0.279 . . . . 0.0 110.488 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.57 -44.74 96.46 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.195 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.8 -46.35 87.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.968 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.618 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 8.8 tmm_? -59.11 -45.15 91.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.287 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.22 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.156 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.08 -42.57 96.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.193 0.52 . . . . 0.0 109.973 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.511 HD12 ' HB1' ' C' ' 22' ' ' ALA . 75.9 mt -60.28 -41.36 86.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.353 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.563 HG23 ' CE ' ' C' ' 41' ' ' MET . 75.4 m -56.9 -45.71 82.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.102 0.477 . . . . 0.0 109.963 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.93 -43.77 94.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.456 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.569 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 89.3 mt -59.41 -43.07 93.08 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.62 -42.7 95.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.613 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -59.96 -40.93 90.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.147 0.499 . . . . 0.0 109.74 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.05 -42.55 99.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.863 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 65.4 m80 -58.99 -41.89 88.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.733 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -61.6 -40.82 96.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.124 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.67 -37.59 86.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.224 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 36.6 mt . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.344 179.921 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.529 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 121.859 0.838 . . . . 0.0 108.925 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.8 143.0 36.65 Favored 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.35 38.68 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.007 -1.058 . . . . 0.0 109.556 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.13 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 152.38 18.9 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.114 -0.991 . . . . 0.0 108.41 178.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.9 144.28 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.65 136.62 36.92 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-O 122.132 0.967 . . . . 0.0 110.125 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.98 114.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.82 -4.34 19.39 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.813 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.47 141.86 85.94 Favored Pre-proline 0 N--CA 1.499 2.015 0 O-C-N 119.692 -1.88 . . . . 0.0 110.619 178.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.5 -47.68 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.747 3.631 . . . . 0.0 114.174 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.487 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.4 m-20 -102.16 27.62 6.51 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 116.038 -2.265 . . . . 0.0 108.743 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 58.9 -146.74 41.98 Favored Glycine 0 N--CA 1.496 2.694 0 C-N-CA 117.719 -2.182 . . . . 0.0 109.613 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.6 tp -87.43 79.56 8.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.902 -1.352 . . . . 0.0 109.517 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 315' ' ' HIS . . . . . 0.417 ' CE1' ' H ' ' D' ' 317' ' ' ARG . 2.5 p80 -76.25 177.25 7.38 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 117.883 -1.527 . . . . 0.0 112.159 -178.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 6.6 p -36.14 -69.06 0.11 Allowed 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.498 ' N ' ' OG1' ' D' ' 316' ' ' THR . 7.3 tmm_? -56.18 -52.79 70.1 Favored Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 120.127 -0.629 . . . . 0.0 112.514 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.42 -32.26 60.64 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 120.768 0.979 . . . . 0.0 111.486 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.506 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.75 86.68 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.585 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.525 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.91 -39.78 72.52 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -63.89 -39.41 94.12 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 117.924 -1.511 . . . . 0.0 109.543 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.442 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.61 -45.32 93.43 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 122.674 1.226 . . . . 0.0 108.762 -177.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.617 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 67.3 t -62.67 -42.22 95.25 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.223 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.633 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.538 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.4 mttt -63.98 -40.18 95.81 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.217 -0.927 . . . . 0.0 109.764 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.73 -39.73 80.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.432 -0.793 . . . . 0.0 109.624 177.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.0 91.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.649 -1.282 . . . . 0.0 109.468 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 327' ' ' LYS . . . . . 0.617 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.3 mttp -61.3 -16.28 44.03 Favored 'General case' 0 N--CA 1.511 2.599 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.84 -10.61 86.01 Favored Glycine 0 N--CA 1.48 1.605 0 O-C-N 119.948 -1.72 . . . . 0.0 109.308 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.3 32.89 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.3 -1.706 . . . . 0.0 109.977 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.4 p -75.49 -30.17 59.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.171 -0.955 . . . . 0.0 112.352 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.57 10.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 119.837 -1.789 . . . . 0.0 112.871 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.22 35.35 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 102.796 -3.039 . . . . 0.0 102.796 171.301 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.432 0 O-C-N 121.082 -1.011 . . . . 0.0 109.351 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -124.92 143.18 51.0 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-O 123.105 1.431 . . . . 0.0 110.014 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.7 t -108.07 130.0 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.9 m -127.49 119.51 26.23 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.867 -1.146 . . . . 0.0 108.977 -178.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.48 122.62 39.37 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.533 -0.729 . . . . 0.0 109.931 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.72 38.91 24.19 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.843 -1.161 . . . . 0.0 112.766 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.11 83.44 Favored Glycine 0 N--CA 1.503 3.117 0 O-C-N 119.998 -1.688 . . . . 0.0 112.512 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.9 136.22 54.59 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 177.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.77 158.56 33.01 Favored 'General case' 0 C--N 1.276 -2.629 0 CA-C-O 123.837 1.779 . . . . 0.0 112.375 -175.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.37 31.33 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 112.466 -2.152 . . . . 0.0 108.572 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.64 135.94 48.75 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 173.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.446 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.89 -6.82 47.67 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.794 -1.191 . . . . 0.0 110.73 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.5 13.01 31.39 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.69 -1.257 . . . . 0.0 109.359 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.4 t -133.13 104.16 6.37 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 122.163 0.982 . . . . 0.0 110.116 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 347' ' ' LEU . . . . . 0.424 HD22 ' CE ' ' A' ' 9' ' ' MET . 58.3 tp -57.17 -37.96 72.89 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.98 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -58.92 -51.29 70.68 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.594 -1.316 . . . . 0.0 113.07 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.49 70.65 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 119.599 -1.938 . . . . 0.0 109.162 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.81 75.92 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.924 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -67.61 -10.47 52.34 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.676 -0.64 . . . . 0.0 109.967 -177.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.0 p -89.79 -7.72 53.77 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 118.105 -1.438 . . . . 0.0 110.911 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.39 159.32 15.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.24 -0.912 . . . . 0.0 110.111 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.9 2.97 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 106.878 -2.489 . . . . 0.0 106.878 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.1 mt -119.69 47.39 1.73 Allowed 'General case' 0 C--N 1.308 -1.207 0 O-C-N 120.678 -1.483 . . . . 0.0 107.393 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 34.7 p -81.48 172.51 13.42 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.786 -1.166 . . . . 0.0 109.231 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.68 140.9 57.31 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.855 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.47 -3.21 78.85 Favored Glycine 0 N--CA 1.501 2.996 0 C-N-CA 120.034 -1.079 . . . . 0.0 111.294 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.44 135.91 34.06 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.9 -1.353 . . . . 0.0 110.61 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.47 123.75 48.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.7 m -112.21 160.11 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.297 0 C-N-CA 117.413 -1.715 . . . . 0.0 110.684 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.88 128.4 54.89 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.541 -1.349 . . . . 0.0 107.549 175.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.88 121.28 60.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.29 50.69 Favored 'General case' 0 C--N 1.285 -2.223 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.555 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.45 47.17 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 118.467 -1.293 . . . . 0.0 109.732 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.23 110.77 6.41 Favored 'General case' 0 C--N 1.287 -2.122 0 C-N-CA 118.591 -1.243 . . . . 0.0 108.038 178.17 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.3 40.16 Favored Glycine 0 C--N 1.297 -1.637 0 C-N-CA 117.952 -2.07 . . . . 0.0 110.3 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.38 -40.62 82.83 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.3 -0.95 . . . . 0.0 112.153 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 115.883 -2.327 . . . . 0.0 108.542 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.58 65.88 Favored 'General case' 0 N--CA 1.521 3.08 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -174.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.44 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.64 27.5 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 119.544 -1.973 . . . . 0.0 110.944 -176.543 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.762 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.65 97.51 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.55 77.43 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 117.459 -1.696 . . . . 0.0 110.014 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.4 t -66.83 -42.14 88.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-O 122.202 1.001 . . . . 0.0 109.26 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.97 -47.83 76.94 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 122.046 0.927 . . . . 0.0 108.725 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.762 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.78 -38.35 76.68 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.729 -178.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.2 mt -75.62 -28.57 58.89 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.475 -1.39 . . . . 0.0 110.842 -174.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.46 70.75 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.427 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.99 -49.23 62.86 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.22 -45.22 84.06 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 119.06 -1.056 . . . . 0.0 110.579 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.36 -37.38 85.47 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.943 -1.098 . . . . 0.0 111.545 -177.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.96 -31.79 61.55 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.135 -0.978 . . . . 0.0 110.228 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.91 -32.27 45.63 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.503 -0.748 . . . . 0.0 111.335 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.04 125.44 12.14 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 124.238 1.97 . . . . 0.0 112.888 178.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.813 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.9 tt0 . . . . . 0 C--N 1.277 -2.556 0 CA-C-N 111.158 -2.746 . . . . 0.0 110.106 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.629 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.4 mt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.497 0.189 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.81 -47.4 78.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.939 0.4 . . . . 0.0 110.313 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.81 -36.68 82.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.292 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.84 -42.37 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.367 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.681 HG21 HG13 ' A' ' 73' ' ' VAL . 79.2 t -60.41 -44.68 96.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.015 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.424 ' CE ' HD22 ' D' ' 347' ' ' LEU . 92.0 mtp -59.33 -42.1 90.67 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.89 -41.95 97.18 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.45 -42.88 98.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.21 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.9 -44.27 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.765 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.538 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 89.7 mt -63.3 -43.7 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.97 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -61.65 -46.06 91.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.813 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -60.38 -44.78 95.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.002 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.33 99.3 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -63.81 -44.67 92.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.401 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.14 -49.41 77.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.892 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.45 -45.9 91.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -55.1 -43.84 74.36 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.12 -41.45 98.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.648 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.88 -48.44 79.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -60.35 -40.96 92.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.615 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.97 92.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.7 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.92 -42.59 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.653 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.43 -44.66 96.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.518 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -55.65 -42.57 75.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.12 -42.03 98.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.775 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.23 95.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.725 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.5 -29.07 69.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.101 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -79.66 -4.32 51.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.4 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 12.83 75.74 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -96.68 80.47 3.08 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.74 0.305 . . . . 0.0 110.29 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -65.12 -34.6 78.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.659 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.2 -48.41 80.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.064 0.459 . . . . 0.0 110.757 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.57 80.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.354 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.53 78.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.585 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.29 -42.39 98.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.596 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.63 98.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.774 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.72 -42.64 90.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.474 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.566 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.1 mtm -64.15 -41.0 97.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.681 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -61.58 -47.28 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.01 0.433 . . . . 0.0 110.605 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.7 -40.68 97.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.233 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.83 -46.46 89.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.68 -42.94 98.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.35 -42.59 98.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.231 0.538 . . . . 0.0 110.604 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.69 97.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.216 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.622 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 95.0 mt -65.51 -40.37 92.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.691 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -61.03 -41.69 97.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.345 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.79 -39.5 93.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.173 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.92 -44.16 77.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.409 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.605 ' O ' HG23 ' A' ' 56' ' ' THR . 60.1 t-80 -62.11 -38.72 89.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.368 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.515 ' O ' ' OG1' ' A' ' 56' ' ' THR . 40.9 mt -61.02 -43.69 98.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.348 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.02 -43.36 92.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 110.0 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -60.6 -43.93 96.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.264 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 52' ' ' HIS . 32.8 p -57.23 -41.53 79.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.002 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.01 -38.63 91.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.909 0.385 . . . . 0.0 110.574 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.63 -28.9 69.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.631 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.8 mt -89.91 -33.77 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.862 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.534 -179.753 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.992 0.425 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 75' ' ' VAL . 85.0 p -136.43 172.09 13.52 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.588 HD22 HD11 ' B' ' 72' ' ' LEU . 4.2 mm? -57.61 -45.91 84.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.617 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.681 HG13 HG21 ' A' ' 8' ' ' VAL . 71.4 t -64.29 -47.66 88.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.888 0.375 . . . . 0.0 110.619 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.49 -41.67 98.56 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -178.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 71' ' ' SER . 54.7 t -59.3 -47.93 88.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.221 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -58.95 -45.27 90.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.17 94.27 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.78 0.324 . . . . 0.0 110.673 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.39 -41.3 98.76 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.153 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 83' ' ' THR . 54.7 tp -57.31 -46.73 82.91 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.365 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -67.31 -46.71 72.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.743 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.42 -45.91 92.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.836 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.3 mmm -62.19 -43.87 97.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.141 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.5 p -64.08 -47.36 80.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -62.16 -48.8 78.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.476 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.95 -47.47 82.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.529 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.03 -45.93 91.4 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.125 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.7 80.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.849 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.622 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 7.7 tmm_? -57.86 -45.54 86.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.147 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' B' ' 23' ' ' TYR . 83.8 tt0 -61.8 -43.5 98.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.142 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.84 -42.51 97.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 109.823 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.451 HD12 ' HB1' ' A' ' 22' ' ' ALA . 75.8 mt -59.74 -41.7 86.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.274 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.9 m -58.32 -45.17 88.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.41 -43.86 97.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.583 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 91.5 mt -58.93 -43.16 91.11 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.566 HD12 ' SD ' ' A' ' 41' ' ' MET . 92.0 mt -61.64 -42.42 94.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.495 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.39 -40.59 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.1 0.476 . . . . 0.0 109.741 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.52 -41.66 97.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.904 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 65.9 m80 -59.92 -38.84 83.52 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -63.19 -39.4 94.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.236 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.22 -39.47 92.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.178 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.8 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.629 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.2 mt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.543 0.211 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -47.34 78.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 110.31 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.0 -36.56 82.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.193 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.61 -42.72 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.646 HG21 HG13 ' B' ' 73' ' ' VAL . 77.2 t -60.26 -45.01 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.829 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.8 mtp -59.15 -41.83 89.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.22 -42.15 96.47 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.12 -42.68 99.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.768 0.318 . . . . 0.0 110.339 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.4 -44.4 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.599 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.72 -44.34 99.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.863 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' B' ' 14' ' ' ASN . 52.3 t-20 -61.35 -46.06 91.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.806 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -60.33 -44.61 95.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.056 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.39 -41.85 99.28 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -64.29 -44.75 90.69 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.421 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.93 -49.53 76.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.915 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.39 -45.84 92.1 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 70.1 m -55.24 -43.72 74.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.13 -41.5 98.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.796 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.46 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.66 -48.69 78.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 24.0 m-85 -60.25 -40.48 90.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.717 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.29 94.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.711 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.36 84.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.68 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.7 -44.82 96.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.338 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -55.68 -42.29 74.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.25 -42.08 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.843 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.11 96.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.705 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.51 -28.89 69.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.079 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.0 -4.23 51.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.376 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.01 12.84 76.01 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.65 80.29 3.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.842 0.354 . . . . 0.0 110.294 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -65.19 -34.39 78.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.81 78.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 110.812 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.45 80.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.449 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.83 77.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.564 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -60.72 -42.88 98.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.8 99.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.7 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.75 -42.34 91.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.53 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.576 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.4 mtm -64.43 -41.06 96.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.62 -47.38 85.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.462 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -62.51 -40.86 98.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.315 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' B' ' 41' ' ' MET . 77.7 p -61.77 -46.62 88.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.488 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.48 -42.77 96.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.309 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.52 -42.71 99.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.285 0.565 . . . . 0.0 110.608 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.44 97.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.161 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.616 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 95.2 mt -65.93 -40.47 91.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.7 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -60.81 -41.53 95.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.329 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.13 -39.69 93.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.106 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.59 -44.23 78.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.454 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' HIS . . . . . 0.607 ' O ' HG23 ' B' ' 56' ' ' THR . 60.2 t-80 -62.29 -38.65 90.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.281 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.506 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.9 mt -61.02 -43.73 98.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.372 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.07 -43.28 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 0.0 110.035 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -60.71 -44.03 97.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.243 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.607 HG23 ' O ' ' B' ' 52' ' ' HIS . 32.3 p -57.1 -41.46 78.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.969 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.08 -38.6 91.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.922 0.391 . . . . 0.0 110.587 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -65.71 -28.73 69.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.689 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 76.2 mt -89.83 -33.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.576 -179.627 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.402 ' O ' HG13 ' B' ' 70' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.462 0.159 0 CA-C-O 120.858 0.361 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.624 ' O ' HG23 ' B' ' 75' ' ' VAL . 97.7 p -136.38 172.82 12.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.547 -178.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.59 HD22 HD11 ' C' ' 72' ' ' LEU . 4.0 mm? -58.81 -46.04 88.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.566 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.646 HG13 HG21 ' B' ' 8' ' ' VAL . 64.4 t -63.59 -46.58 94.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.643 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.35 -41.0 96.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.996 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 71' ' ' SER . 54.6 t -59.5 -47.7 89.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.312 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.28 -45.59 90.84 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.275 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.19 95.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.87 0.366 . . . . 0.0 110.424 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.52 -41.37 98.5 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.286 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.462 ' O ' HG23 ' B' ' 83' ' ' THR . 53.9 tp -57.16 -46.54 82.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.397 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -67.57 -46.65 72.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.761 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.65 -45.32 94.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.9 mmm -62.75 -43.32 99.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.262 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.462 HG23 ' O ' ' B' ' 79' ' ' LEU . 19.9 p -64.61 -47.41 78.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.129 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.2 -48.23 80.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.597 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.19 -47.86 82.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.522 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.79 -45.81 92.24 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.2 82.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.932 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.616 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 7.8 tmm_? -58.53 -45.17 89.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.278 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.475 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 83.7 tt0 -62.01 -43.67 98.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.146 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.8 -42.24 97.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 110.056 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.46 HD12 ' HB1' ' B' ' 22' ' ' ALA . 75.8 mt -59.85 -41.93 87.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.167 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.4 m -57.9 -45.49 86.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.087 0.47 . . . . 0.0 109.846 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.31 -43.98 97.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.466 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.543 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 90.9 mt -58.71 -42.95 89.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.576 HD12 ' SD ' ' B' ' 41' ' ' MET . 91.6 mt -61.87 -42.66 95.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.515 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.11 -40.53 94.1 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.58 -41.83 97.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.832 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.2 m80 -59.74 -38.63 82.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.748 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -63.45 -39.58 94.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.14 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.18 -39.1 92.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.183 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' B' ' 101' ' ' LEU . 42.7 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.397 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.629 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.9 mt . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.609 0.242 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.84 -47.41 78.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.379 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.75 -36.5 82.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.383 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.8 -42.63 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.631 HG21 HG13 ' C' ' 73' ' ' VAL . 79.7 t -60.24 -44.9 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.029 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.3 -41.95 90.19 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.35 96.78 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 11' ' ' LEU . 83.2 mt -62.84 -42.8 99.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.381 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.12 -44.17 99.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.619 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.12 -44.23 99.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.99 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' C' ' 14' ' ' ASN . 52.0 t-20 -61.19 -46.52 90.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.852 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.6 t -60.02 -44.7 94.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.189 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.83 99.44 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.42 -45.16 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.407 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -57.4 -49.99 74.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.14 -45.82 91.73 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -55.28 -43.91 75.18 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 21' ' ' LEU . 80.0 mt -61.85 -41.34 97.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.7 178.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.468 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.82 -48.97 78.22 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.475 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.1 m-85 -60.12 -41.03 91.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.531 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.48 91.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.745 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 -42.31 83.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.641 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.72 -44.44 96.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.439 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.07 -42.28 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.53 -41.35 98.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.897 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.41 -43.78 96.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.823 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.17 -29.09 69.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.034 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -79.37 -4.8 52.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.468 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.62 12.18 75.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.03 80.46 3.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.75 0.31 . . . . 0.0 110.332 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -65.22 -34.57 78.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.558 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.24 80.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.724 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.35 -35.15 79.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.375 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.06 -48.56 78.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.493 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -60.74 -43.24 98.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.624 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.09 99.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.755 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.36 -42.66 92.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.549 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.564 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.6 mtm -64.17 -41.24 97.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.571 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.51 -47.63 84.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.428 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.29 -40.71 97.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.35 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.7 p -61.95 -46.38 89.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.502 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.92 -42.54 98.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.313 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.5 -42.97 99.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.353 0.597 . . . . 0.0 110.542 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.83 98.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.354 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.622 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 94.1 mt -65.74 -40.43 92.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -61.06 -41.5 96.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.368 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -64.65 -40.16 94.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.015 0.436 . . . . 0.0 110.05 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -44.48 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.369 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.613 ' O ' HG23 ' C' ' 56' ' ' THR . 60.1 t-80 -61.77 -38.71 89.06 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.274 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.493 ' O ' ' OG1' ' C' ' 56' ' ' THR . 40.7 mt -61.3 -43.57 98.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.271 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.93 -43.36 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.045 0.45 . . . . 0.0 109.972 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.81 -43.95 97.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.245 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.613 HG23 ' O ' ' C' ' 52' ' ' HIS . 33.9 p -57.13 -41.35 78.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.134 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.26 -38.66 92.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.936 0.398 . . . . 0.0 110.48 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -65.34 -28.98 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.835 -179.497 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.636 ' O ' HG23 ' C' ' 75' ' ' VAL . 93.0 p . . . . . 0 C--O 1.227 -0.081 0 CA-C-O 121.035 0.445 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.59 HD11 HD22 ' B' ' 72' ' ' LEU . 3.8 mm? -60.66 -45.02 95.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.637 -177.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.631 HG13 HG21 ' C' ' 8' ' ' VAL . 61.6 t -64.73 -46.87 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 130.06 3.344 . . . . 0.0 110.657 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.48 -40.93 89.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.636 HG23 ' O ' ' C' ' 71' ' ' SER . 54.2 t -59.78 -48.22 88.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.232 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.28 -45.11 92.13 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.292 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.08 94.46 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.864 0.364 . . . . 0.0 110.383 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -63.82 -41.2 97.92 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.236 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.464 ' O ' HG23 ' C' ' 83' ' ' THR . 52.8 tp -57.19 -46.64 82.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.492 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -67.59 -46.78 71.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.704 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -61.44 -45.74 93.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.803 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.3 -43.59 98.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.345 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.464 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.7 p -64.41 -47.65 78.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.171 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -61.84 -48.43 80.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.609 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -58.1 -47.95 81.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.516 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.58 -46.04 91.59 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.178 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.54 81.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.901 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.622 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 7.8 tmm_? -58.24 -45.16 88.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.227 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.93 -43.75 98.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.158 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.84 -42.26 97.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.12 0.486 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.468 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.4 mt -59.72 -41.93 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.407 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 89.3 m -57.88 -45.32 86.54 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.973 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.48 -44.09 97.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.459 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.516 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 91.0 mt -58.43 -43.22 88.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 95' ' ' ILE . . . . . 0.564 HD12 ' SD ' ' C' ' 41' ' ' MET . 92.2 mt -61.58 -42.8 95.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.615 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -60.99 -40.52 93.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.724 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 97' ' ' LEU . 84.5 mt -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.89 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 66.3 m80 -60.07 -38.42 82.81 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -63.53 -39.72 95.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.156 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.99 -39.13 93.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.199 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.3 mt . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.315 179.725 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.535 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.929 0.871 . . . . 0.0 108.935 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.465 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.76 143.05 36.76 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.34 38.61 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.064 -1.022 . . . . 0.0 109.502 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.12 28.41 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.24 19.0 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.412 178.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.75 144.39 19.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.61 37.0 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.115 0.96 . . . . 0.0 110.145 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 308' ' ' ILE . . . . . 0.483 HD13 HD23 ' D' ' 314' ' ' LEU . 50.8 mt -84.96 114.29 24.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.9 -4.26 19.35 Favored 'General case' 0 C--N 1.265 -3.07 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.806 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.8 85.83 Favored Pre-proline 0 N--CA 1.499 2.012 0 O-C-N 119.672 -1.892 . . . . 0.0 110.608 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.52 -47.63 13.0 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 124.728 3.619 . . . . 0.0 114.152 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.606 ' CB ' ' NE2' ' C' ' 52' ' ' HIS . 1.5 p30 -102.22 27.72 6.46 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 116.014 -2.274 . . . . 0.0 108.743 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 57.14 -148.13 33.41 Favored Glycine 0 N--CA 1.496 2.675 0 C-N-CA 117.659 -2.21 . . . . 0.0 109.631 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.483 HD23 HD13 ' D' ' 308' ' ' ILE . 1.4 mm? -83.53 82.71 8.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.846 -1.385 . . . . 0.0 109.529 -177.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 315' ' ' HIS . . . . . 0.432 ' CE1' ' H ' ' D' ' 317' ' ' ARG . 3.1 p80 -78.92 179.03 7.53 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 117.857 -1.537 . . . . 0.0 112.129 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.474 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 7.6 p -36.92 -68.77 0.13 Allowed 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 -176.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.474 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.9 tmm_? -58.43 -51.59 80.73 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 120.148 -0.621 . . . . 0.0 112.499 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.9 Cg_endo -64.72 -32.19 57.44 Favored 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 120.939 1.093 . . . . 0.0 111.468 -177.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.478 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.86 86.86 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.231 -0.918 . . . . 0.0 109.482 -179.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.96 -39.65 72.42 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -64.02 -39.42 94.05 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 117.953 -1.499 . . . . 0.0 109.427 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.61 -45.32 93.39 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.677 1.227 . . . . 0.0 108.738 -177.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.478 HG23 ' O ' ' D' ' 319' ' ' ALA . 55.8 t -62.68 -42.27 95.43 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.215 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.649 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.566 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.2 mttt -63.83 -40.28 96.22 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.209 -0.932 . . . . 0.0 109.794 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.536 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.8 -39.66 80.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.477 -0.764 . . . . 0.0 109.559 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.09 -44.01 91.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.599 -1.313 . . . . 0.0 109.44 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.32 -16.18 43.25 Favored 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.61 86.1 Favored Glycine 0 N--CA 1.48 1.593 0 O-C-N 119.988 -1.695 . . . . 0.0 109.278 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.404 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.49 143.36 32.82 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.277 -1.72 . . . . 0.0 110.072 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.6 -30.18 59.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.223 -0.923 . . . . 0.0 112.231 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.72 158.51 10.14 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.873 -1.767 . . . . 0.0 112.88 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.18 35.32 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 171.315 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.66 136.54 60.51 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 CA-C-O 122.205 1.002 . . . . 0.0 109.335 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.86 143.14 50.99 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-O 123.114 1.435 . . . . 0.0 109.997 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.04 129.92 61.41 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 173.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.0 m -127.49 119.58 26.39 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.963 -1.086 . . . . 0.0 108.887 -178.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.58 39.22 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.582 -0.699 . . . . 0.0 109.953 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.78 39.01 24.63 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.913 -1.117 . . . . 0.0 112.73 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.61 10.94 83.7 Favored Glycine 0 N--CA 1.5 2.957 0 O-C-N 119.934 -1.729 . . . . 0.0 112.607 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.82 136.22 54.56 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 67.9 m -124.7 158.53 32.98 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.825 1.774 . . . . 0.0 112.429 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.69 151.37 31.35 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-N 112.498 -2.137 . . . . 0.0 108.57 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.55 135.9 48.88 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.95 -6.82 47.82 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.693 -1.254 . . . . 0.0 110.727 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.46 12.99 31.39 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.587 -1.321 . . . . 0.0 109.399 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 95.4 p -133.11 104.15 6.37 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.226 1.012 . . . . 0.0 110.123 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.19 -37.88 72.83 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.997 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -58.86 -51.45 69.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.561 -1.337 . . . . 0.0 113.036 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.06 -32.38 70.45 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.544 -1.972 . . . . 0.0 109.176 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.8 -33.83 76.01 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.926 -177.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -67.53 -10.54 52.73 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.674 -0.641 . . . . 0.0 109.956 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.7 p -89.75 -7.69 53.92 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 118.151 -1.42 . . . . 0.0 110.911 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.38 159.26 15.33 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 110.188 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.61 104.86 2.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 106.933 -2.467 . . . . 0.0 106.933 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 78.9 mt -119.59 47.36 1.73 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 120.705 -1.468 . . . . 0.0 107.436 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.993 HG22 HG21 ' C' ' 56' ' ' THR . 2.9 p -81.5 172.51 13.41 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.211 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -60.68 140.95 57.29 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.901 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.28 79.08 Favored Glycine 0 N--CA 1.501 2.968 0 C-N-CA 119.976 -1.107 . . . . 0.0 111.414 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.41 135.94 34.06 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.818 -1.401 . . . . 0.0 110.592 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.2 t -96.55 123.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.491 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.3 m -112.16 160.06 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 117.398 -1.721 . . . . 0.0 110.634 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.6 m -108.89 128.36 54.85 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 120.526 -1.359 . . . . 0.0 107.601 175.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.84 121.43 60.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.419 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.29 50.69 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.78 153.39 47.13 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.72 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.69 6.37 Favored 'General case' 0 C--N 1.287 -2.118 0 C-N-CA 118.563 -1.255 . . . . 0.0 108.088 178.14 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.3 -170.29 40.18 Favored Glycine 0 C--N 1.296 -1.68 0 C-N-CA 118.002 -2.047 . . . . 0.0 110.353 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.59 82.53 Favored 'General case' 0 C--N 1.276 -2.598 0 CA-C-N 114.42 -0.89 . . . . 0.0 112.234 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.04 36.78 3.55 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 115.862 -2.335 . . . . 0.0 108.62 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.45 -33.45 65.91 Favored 'General case' 0 N--CA 1.521 3.082 0 N-CA-C 116.906 2.188 . . . . 0.0 116.906 -174.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.462 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.67 27.56 Favored 'General case' 0 N--CA 1.509 2.484 0 O-C-N 119.569 -1.957 . . . . 0.0 110.946 -176.61 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.768 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.56 -40.66 97.56 Favored 'General case' 0 C--N 1.283 -2.293 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.52 77.53 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.464 -1.695 . . . . 0.0 110.039 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.77 -42.25 89.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 122.203 1.001 . . . . 0.0 109.298 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.93 -47.9 76.7 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.972 0.892 . . . . 0.0 108.75 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.768 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.71 -38.32 76.89 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.8 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' D' ' 377' ' ' LEU . 81.1 mt -75.61 -28.64 58.95 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.367 -1.458 . . . . 0.0 110.897 -174.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.5 70.97 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.447 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.16 63.5 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.536 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.25 84.26 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 118.996 -1.082 . . . . 0.0 110.465 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.491 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.33 -37.42 85.54 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.919 -1.113 . . . . 0.0 111.538 -177.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.67 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.068 -1.02 . . . . 0.0 110.274 -178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.81 -32.29 46.21 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.439 -0.788 . . . . 0.0 111.401 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 125.42 12.2 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 124.277 1.989 . . . . 0.0 112.914 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.806 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 33.6 tp10 . . . . . 0 C--N 1.277 -2.571 0 CA-C-N 111.192 -2.731 . . . . 0.0 110.173 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.8 mt . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -64.68 -47.51 78.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.881 0.372 . . . . 0.0 110.226 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -67.21 -36.65 82.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.314 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.436 HG11 HD11 ' A' ' 58' ' ' LEU . 72.7 t -63.91 -42.41 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.354 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 4' ' ' LEU . 71.1 t -60.4 -45.19 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.959 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.05 -42.02 89.27 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.65 -41.91 97.54 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.88 -43.16 99.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.252 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.32 -43.96 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.792 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.566 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 87.1 mt -63.73 -44.39 98.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.496 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 50.5 t-20 -60.95 -45.94 92.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.856 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 t -60.78 -43.59 97.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.01 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.85 97.64 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.06 -44.21 96.45 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.35 -49.12 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.863 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.37 -45.44 93.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.57 -45.22 81.43 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.66 -41.7 97.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.71 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.66 -48.0 80.73 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -60.47 -41.16 93.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.551 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.11 -42.22 94.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.758 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.6 85.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.702 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.6 -44.97 96.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.447 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.4 -41.52 72.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.99 -41.1 95.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.816 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.48 94.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.743 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.15 -30.24 70.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.137 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -79.43 -4.61 51.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.474 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.86 13.09 75.9 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.95 80.8 3.02 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.776 0.322 . . . . 0.0 110.255 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -64.95 -34.55 78.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.646 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.88 77.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.978 0.418 . . . . 0.0 110.761 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.37 80.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.374 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.69 77.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.594 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -62.02 -42.36 99.08 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.623 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.95 99.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.775 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -65.43 -41.1 93.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.535 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.482 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 3.2 mmt -62.54 -41.09 98.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.653 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -62.11 -44.18 97.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.95 0.405 . . . . 0.0 110.469 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.17 -41.28 99.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.236 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.2 p -61.58 -45.58 93.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.63 -42.5 97.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.363 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.7 mtp -61.77 -41.95 98.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.51 . . . . 0.0 110.529 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.13 99.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.21 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.99 -39.88 90.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -60.82 -41.58 96.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.197 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.39 -39.91 92.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.016 0.436 . . . . 0.0 110.191 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.496 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.27 -43.33 82.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.501 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -63.09 -38.28 90.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.373 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.7 mt -61.15 -43.36 99.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.328 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.87 -43.44 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.0 110.04 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.43 -42.1 95.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.215 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.2 m -57.0 -43.48 81.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.972 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -60.32 -40.17 89.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 110.527 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.47 ' HB3' HD21 ' A' ' 74' ' ' LEU . 94.9 mt -68.83 -39.08 80.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.737 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.84 -39.52 82.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.488 -179.238 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.895 0.379 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 75' ' ' VAL . 64.9 p -135.0 170.68 15.54 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.1 tp -57.13 -45.25 83.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.522 HG13 HG21 ' A' ' 8' ' ' VAL . 55.4 t -61.78 -45.53 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.898 0.38 . . . . 0.0 110.552 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 58' ' ' LEU . 31.2 mt -61.5 -39.99 92.95 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 71' ' ' SER . 52.6 t -59.66 -47.1 92.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.228 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -59.05 -45.81 89.84 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.269 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.64 99.62 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.655 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.499 ' OE1' ' OE2' ' B' ' 76' ' ' GLU . 85.7 mt-30 -62.56 -39.4 93.53 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.18 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 83' ' ' THR . 44.8 tp -57.87 -47.75 81.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.41 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -67.4 -48.26 67.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.671 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.451 HD21 ' HB1' ' A' ' 51' ' ' ALA . 14.8 mt -61.35 -45.04 96.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.841 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.02 -43.25 99.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.213 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.2 p -63.94 -46.52 84.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.121 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.9 p -62.72 -49.88 73.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.441 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.72 -47.92 81.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.509 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.65 -45.14 95.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.057 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -47.34 85.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.804 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -57.98 -45.88 86.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.133 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.34 -43.43 98.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.074 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.17 -42.94 96.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.0 109.774 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.515 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.7 mt -60.31 -41.8 88.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.371 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.482 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 89.1 m -57.15 -45.56 83.47 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.54 -42.95 98.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.564 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 94' ' ' LEU . 84.4 mt -59.7 -43.27 94.17 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.27 -42.89 95.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.538 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.76 -39.37 88.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 109.709 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.16 -41.7 98.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.861 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -58.14 -40.81 82.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -60.34 -39.08 85.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.17 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.06 -36.19 83.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.183 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.663 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.3 mt . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.591 0.234 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -65.11 -47.07 78.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.391 . . . . 0.0 110.355 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -67.33 -36.74 82.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.212 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.421 HG11 HD11 ' B' ' 58' ' ' LEU . 73.0 t -63.87 -42.64 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.346 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.663 HG23 ' O ' ' B' ' 4' ' ' LEU . 72.6 t -60.2 -44.98 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.883 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -59.36 -42.0 90.57 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.19 97.58 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' ' 11' ' ' LEU . 33.3 mt -62.65 -43.12 99.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.788 0.328 . . . . 0.0 110.361 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.67 -43.82 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.6 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.74 -44.64 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.878 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.491 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 50.3 t-20 -60.79 -46.25 91.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.79 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.8 t -60.31 -43.82 96.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.108 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.95 -43.01 98.08 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.04 -44.42 95.93 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.98 -49.12 77.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.907 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -60.44 -45.54 93.27 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.51 -45.21 81.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.44 -42.18 98.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.618 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.526 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.42 -48.28 79.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.94 -41.41 91.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.737 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.79 93.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.699 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.52 84.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.643 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.456 HD11 ' CE1' ' B' ' 98' ' ' HIS . 57.3 tp -61.71 -44.8 96.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.399 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.5 -41.74 73.49 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.83 -40.81 94.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.941 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.32 95.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.695 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.44 -29.89 70.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.115 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -79.93 -4.48 52.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.352 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.1 12.41 76.64 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.28 80.99 3.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.856 0.36 . . . . 0.0 110.314 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -65.23 -34.22 77.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.584 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.11 76.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.072 0.463 . . . . 0.0 110.818 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.37 80.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.399 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -48.87 77.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.56 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.91 -42.33 98.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.57 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.65 99.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.652 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.62 -40.95 93.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.551 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.481 ' O ' ' OG ' ' B' ' 44' ' ' SER . 3.2 mmt -62.67 -41.27 98.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.583 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.03 -44.28 97.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.457 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.99 -41.6 99.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.325 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.1 p -61.02 -45.98 92.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.5 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.61 -42.65 97.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.277 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.5 mtp -61.27 -42.13 98.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.359 0.599 . . . . 0.0 110.717 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.54 99.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.176 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.53 -40.08 92.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.749 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.57 -41.65 95.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.347 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.53 -39.72 92.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.218 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.491 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.37 -43.74 80.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.438 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.77 -38.27 89.93 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.283 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.15 -43.22 99.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.43 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.12 -43.32 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.001 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -60.49 -42.15 95.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.231 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 89.2 m -56.79 -43.69 81.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.968 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -60.29 -40.05 89.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.91 0.386 . . . . 0.0 110.547 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.493 ' HB3' HD21 ' B' ' 74' ' ' LEU . 95.9 mt -68.95 -39.2 79.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.659 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.74 -39.93 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.739 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 -179.189 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 120.809 0.338 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.7 p -134.64 171.62 14.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.601 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.25 -44.69 92.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.586 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.516 HG13 HG21 ' B' ' 8' ' ' VAL . 55.9 t -61.39 -44.88 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.646 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' B' ' 58' ' ' LEU . 32.5 mt -61.66 -39.6 91.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 -178.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.5 -47.57 90.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.311 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.499 ' OE2' ' OE1' ' A' ' 78' ' ' GLN . 51.0 tp10 -58.84 -45.84 89.1 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.326 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.26 99.4 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.921 0.391 . . . . 0.0 110.441 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.657 ' NE2' ' OE2' ' C' ' 76' ' ' GLU . 25.7 mt-30 -62.84 -39.07 93.22 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.25 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.512 ' O ' HG23 ' B' ' 83' ' ' THR . 44.3 tp -58.24 -47.54 83.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.407 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.71 -47.99 67.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.761 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.445 HD21 ' HB1' ' B' ' 51' ' ' ALA . 14.6 mt -61.43 -45.14 95.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.04 -43.52 98.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.181 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.512 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.9 p -63.49 -46.94 83.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.172 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 76.8 p -62.3 -49.85 73.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.641 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.59 -48.11 80.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.416 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.48 -45.18 95.35 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.168 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.26 86.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.831 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.12 -45.43 87.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.247 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.94 -43.19 99.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.182 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.31 -42.56 96.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.065 0.459 . . . . 0.0 110.035 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.526 HD12 ' HB1' ' B' ' 22' ' ' ALA . 78.2 mt -60.6 -41.61 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.237 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.454 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 90.0 m -57.38 -45.0 84.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.092 0.472 . . . . 0.0 109.929 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.2 -42.52 96.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.499 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.11 -43.0 95.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.49 -42.78 95.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.517 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.93 -39.44 89.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' B' ' 97' ' ' LEU . 85.0 mt -62.09 -41.62 98.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.766 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.456 ' CE1' HD11 ' B' ' 26' ' ' LEU . 47.2 m170 -58.18 -40.43 81.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.795 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -60.98 -38.55 86.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.15 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.45 -36.29 83.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.247 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.353 179.639 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.3 mt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.568 0.223 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -64.83 -47.46 77.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 0.0 110.371 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -66.79 -36.98 83.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.286 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.43 HG11 HD11 ' C' ' 58' ' ' LEU . 72.8 t -63.84 -42.29 95.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.407 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' C' ' 4' ' ' LEU . 75.0 t -60.42 -45.01 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.97 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mtp -59.25 -42.3 90.8 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.93 97.94 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' C' ' 11' ' ' LEU . 32.8 mt -62.79 -43.12 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 110.34 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.54 -43.8 98.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.754 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.64 -44.46 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.037 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.484 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 49.7 t-20 -61.1 -45.93 92.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.752 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -60.72 -43.58 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.147 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.16 -43.0 97.77 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -62.88 -44.24 96.63 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.46 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.75 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.58 -45.06 95.35 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -57.0 -44.85 83.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.89 -41.57 98.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.741 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.521 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.71 -47.96 80.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.211 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -60.53 -41.37 94.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.506 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.19 93.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.47 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.568 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.456 HD11 ' CE1' ' C' ' 98' ' ' HIS . 56.8 tp -61.68 -44.98 95.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.478 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.12 -42.13 72.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.67 -40.89 93.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.896 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.95 94.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.796 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.73 -29.8 70.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.102 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -79.75 -4.54 52.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.378 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.97 12.81 76.15 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -96.69 80.64 3.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.796 0.331 . . . . 0.0 110.273 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -65.01 -34.52 78.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.489 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.81 77.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.026 0.441 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.8 -35.26 80.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.404 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.81 77.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.436 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -61.76 -42.67 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.583 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.741 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.16 -41.15 94.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.527 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.464 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 3.3 mmt -62.46 -41.23 98.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.607 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.06 -44.47 96.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.437 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.86 -41.15 99.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.323 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.3 p -61.89 -45.24 94.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.537 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.09 -42.4 98.44 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.313 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.58 -42.51 98.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.404 0.621 . . . . 0.0 110.523 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.59 99.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.369 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.86 -39.98 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.769 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.79 -41.41 95.54 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.411 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.41 -40.16 93.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.08 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.484 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.04 -43.93 81.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.395 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.606 ' NE2' ' CB ' ' D' ' 312' ' ' ASN . 84.6 t60 -62.53 -38.3 89.45 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.377 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.41 -43.22 99.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.266 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.02 -43.2 96.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.003 0.43 . . . . 0.0 109.97 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.51 -42.24 95.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.273 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.993 HG21 HG22 ' D' ' 356' ' ' THR . 91.4 m -56.9 -43.43 81.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.126 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -60.42 -39.89 89.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.511 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.489 ' HB3' HD21 ' C' ' 74' ' ' LEU . 95.3 mt -68.84 -39.31 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.801 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.837 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.419 ' O ' HG23 ' C' ' 75' ' ' VAL . 37.6 p . . . . . 0 C--O 1.227 -0.08 0 CA-C-O 121.082 0.468 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.34 -45.33 91.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.721 -177.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.526 HG13 HG21 ' C' ' 8' ' ' VAL . 54.1 t -62.35 -45.22 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 130.075 3.35 . . . . 0.0 110.621 -178.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' C' ' 58' ' ' LEU . 38.2 mt -63.44 -39.44 94.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.086 0.469 . . . . 0.0 110.971 177.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 71' ' ' SER . 55.4 t -59.82 -48.2 88.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.244 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.657 ' OE2' ' NE2' ' B' ' 78' ' ' GLN . 50.4 tp10 -58.84 -45.83 89.12 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.34 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.48 99.51 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.83 0.348 . . . . 0.0 110.434 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.77 -39.09 93.09 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.291 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.499 ' O ' HG23 ' C' ' 83' ' ' THR . 44.8 tp -58.25 -47.52 83.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.472 -179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -67.81 -48.21 66.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 81' ' ' LEU . . . . . 0.445 HD21 ' HB1' ' C' ' 51' ' ' ALA . 15.0 mt -60.99 -45.28 95.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.804 -178.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.91 -43.15 99.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.392 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.499 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.9 p -64.28 -46.34 84.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.186 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -62.84 -49.45 74.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.614 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.87 -48.09 80.82 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.496 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.5 -45.35 94.61 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.109 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.29 85.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.979 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.28 -45.4 87.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.234 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.52 -43.6 98.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.155 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.99 -42.78 97.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.175 0.512 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.521 HD12 ' HB1' ' C' ' 22' ' ' ALA . 78.6 mt -60.43 -41.58 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.422 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.464 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 90.6 m -57.36 -44.98 84.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 109.926 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.36 -42.38 96.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.476 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.26 -42.93 96.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.44 -43.0 96.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.528 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.52 -39.7 88.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.706 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' C' ' 97' ' ' LEU . 85.1 mt -61.98 -41.5 98.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.89 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.456 ' CE1' HD11 ' C' ' 26' ' ' LEU . 47.2 m170 -58.08 -40.6 81.47 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.92 -38.73 86.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.07 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.29 -36.22 83.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.207 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.315 179.838 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.54 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.705 0 CA-C-O 121.8 0.81 . . . . 0.0 108.994 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.459 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.86 143.02 36.54 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.01 156.3 38.56 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.124 -0.985 . . . . 0.0 109.544 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.22 28.54 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.24 19.02 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.986 -1.071 . . . . 0.0 108.441 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.31 19.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.67 136.6 36.97 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.09 0.948 . . . . 0.0 110.197 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.34 24.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.93 -4.26 19.31 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.806 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.83 85.71 Favored Pre-proline 0 N--CA 1.499 2.021 0 O-C-N 119.629 -1.919 . . . . 0.0 110.602 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -45.58 -47.57 13.22 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 124.734 3.622 . . . . 0.0 114.123 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.544 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.5 m-20 -102.13 27.49 6.61 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 116.104 -2.238 . . . . 0.0 108.817 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.96 -142.29 47.47 Favored Glycine 0 N--CA 1.497 2.707 0 C-N-CA 117.692 -2.194 . . . . 0.0 109.548 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.8 tp -90.76 75.97 6.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.921 -1.34 . . . . 0.0 109.533 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -69.74 175.88 3.97 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.941 -1.503 . . . . 0.0 112.155 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 65.1 p -39.07 -65.83 0.34 Allowed 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.446 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 2.0 tmm_? -57.08 -52.27 75.37 Favored Pre-proline 0 N--CA 1.493 1.71 0 C-N-CA 120.166 -0.614 . . . . 0.0 112.491 -177.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.54 -32.17 59.45 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 120.49 0.794 . . . . 0.0 111.524 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.48 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.94 -38.96 87.12 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.513 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.85 -39.74 72.76 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.87 -39.41 94.14 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.955 -1.498 . . . . 0.0 109.539 177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.69 -45.33 93.28 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 122.63 1.205 . . . . 0.0 108.713 -177.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.48 HG23 ' O ' ' D' ' 319' ' ' ALA . 55.0 t -62.6 -42.23 95.16 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.709 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.609 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.3 mttt -63.88 -40.32 96.26 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.271 -0.893 . . . . 0.0 109.793 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.538 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.74 -39.64 80.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.457 -0.777 . . . . 0.0 109.591 177.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.07 91.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.632 -1.292 . . . . 0.0 109.412 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.31 -16.19 43.29 Favored 'General case' 0 N--CA 1.51 2.573 0 O-C-N 121.299 -0.875 . . . . 0.0 113.361 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.62 86.05 Favored Glycine 0 N--CA 1.479 1.536 0 O-C-N 119.875 -1.765 . . . . 0.0 109.269 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.37 32.81 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.25 -1.735 . . . . 0.0 109.99 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.7 p -75.55 -30.11 59.62 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.202 -0.936 . . . . 0.0 112.359 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.82 158.63 10.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 119.838 -1.789 . . . . 0.0 112.79 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.583 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.01 130.2 35.27 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 102.813 -3.032 . . . . 0.0 102.813 171.26 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.65 136.67 60.12 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.381 0 CA-C-O 122.185 0.993 . . . . 0.0 109.299 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -125.04 143.16 51.05 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-O 123.123 1.44 . . . . 0.0 109.934 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.437 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.09 129.92 61.49 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.46 119.57 26.4 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.829 -1.169 . . . . 0.0 108.949 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.57 122.54 39.12 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.588 -0.695 . . . . 0.0 109.879 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.75 38.98 24.46 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.858 -1.151 . . . . 0.0 112.768 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.01 83.57 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 119.928 -1.732 . . . . 0.0 112.511 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.85 136.33 54.52 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 177.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.72 158.56 32.96 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-O 123.744 1.735 . . . . 0.0 112.504 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.38 31.33 Favored 'General case' 0 C--N 1.279 -2.497 0 CA-C-N 112.535 -2.121 . . . . 0.0 108.608 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.63 136.01 48.82 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 173.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.437 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.99 -6.77 47.64 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.702 -1.249 . . . . 0.0 110.707 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.43 12.94 31.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.615 -1.303 . . . . 0.0 109.386 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 89.6 p -133.13 104.16 6.37 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 122.176 0.988 . . . . 0.0 110.087 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 347' ' ' LEU . . . . . 0.475 HD22 ' CE ' ' A' ' 9' ' ' MET . 60.4 tp -57.21 -37.95 72.99 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.961 178.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -58.81 -51.4 70.15 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.622 -1.298 . . . . 0.0 113.055 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.48 70.56 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 119.583 -1.948 . . . . 0.0 109.179 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.71 -33.77 75.78 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.004 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -67.66 -10.44 52.27 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.657 -0.652 . . . . 0.0 109.899 -177.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 40.9 p -89.8 -7.74 53.7 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.091 -1.444 . . . . 0.0 110.939 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 93.4 mt -93.31 159.35 15.3 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.168 -0.958 . . . . 0.0 110.127 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.76 104.81 2.97 Favored Glycine 0 N--CA 1.484 1.9 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.5 mt -119.57 47.42 1.71 Allowed 'General case' 0 C--N 1.31 -1.149 0 O-C-N 120.727 -1.455 . . . . 0.0 107.437 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.862 HG22 HG21 ' C' ' 56' ' ' THR . 7.6 p -81.46 172.55 13.38 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.209 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -60.74 140.9 57.39 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.317 -0.953 . . . . 0.0 109.859 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.18 78.86 Favored Glycine 0 N--CA 1.501 3.024 0 C-N-CA 119.971 -1.109 . . . . 0.0 111.358 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.44 135.88 34.08 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 120.909 -1.347 . . . . 0.0 110.619 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.9 t -96.56 123.7 48.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 176.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.493 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.13 160.08 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 C-N-CA 117.4 -1.72 . . . . 0.0 110.658 178.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.9 128.45 54.93 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 120.509 -1.37 . . . . 0.0 107.603 175.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.87 121.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 176.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.26 50.71 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.44 47.16 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.464 -1.295 . . . . 0.0 109.693 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.54 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.81 6.44 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 118.62 -1.232 . . . . 0.0 108.099 178.148 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.25 40.12 Favored Glycine 0 C--N 1.296 -1.686 0 C-N-CA 118.003 -2.046 . . . . 0.0 110.378 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.52 -40.54 83.18 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 114.416 -0.892 . . . . 0.0 112.156 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.02 36.71 3.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 118.98 -2.325 . . . . 0.0 108.615 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.48 -33.46 65.96 Favored 'General case' 0 N--CA 1.522 3.129 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -173.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.446 ' HG2' ' H ' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.69 27.42 Favored 'General case' 0 N--CA 1.509 2.501 0 O-C-N 119.549 -1.969 . . . . 0.0 110.956 -176.614 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.773 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.72 97.84 Favored 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.49 77.64 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 117.545 -1.662 . . . . 0.0 110.03 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 68.0 t -66.79 -42.26 89.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 122.253 1.025 . . . . 0.0 109.299 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.85 -47.96 76.36 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 122.015 0.912 . . . . 0.0 108.746 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.773 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.76 -38.36 76.73 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.717 -178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.6 mt -75.51 -28.69 59.24 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.342 -1.474 . . . . 0.0 110.909 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.425 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.29 62.73 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.538 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.23 -45.21 84.09 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 118.985 -1.086 . . . . 0.0 110.516 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.493 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.31 -37.45 85.61 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.97 -1.081 . . . . 0.0 111.482 -177.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.75 61.61 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.135 -0.978 . . . . 0.0 110.279 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.9 -32.37 45.75 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.512 -0.743 . . . . 0.0 111.324 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.09 125.49 12.33 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.396 2.046 . . . . 0.0 112.916 178.678 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.806 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.7 mm-40 . . . . . 0 C--N 1.278 -2.543 0 CA-C-N 111.108 -2.769 . . . . 0.0 110.124 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.616 ' O ' HG23 ' A' ' 8' ' ' VAL . 98.0 mt . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.84 -47.01 79.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.929 0.395 . . . . 0.0 110.296 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.66 -36.33 80.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.284 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.413 HG11 HD11 ' A' ' 58' ' ' LEU . 96.6 t -64.19 -41.9 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.404 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.624 HG21 HG13 ' A' ' 73' ' ' VAL . 66.2 t -60.56 -44.28 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.894 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.475 ' CE ' HD22 ' D' ' 347' ' ' LEU . 89.5 mtp -58.88 -41.44 87.11 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.431 ' HA2' ' HZ1' ' D' ' 324' ' ' LYS . . . -64.25 -42.34 97.91 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 11' ' ' LEU . 34.2 mt -62.79 -42.89 99.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.245 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.08 -43.96 99.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.728 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.609 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 90.3 mt -63.44 -44.33 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.948 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -61.39 -46.16 91.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.794 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 t -60.43 -44.22 95.99 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.79 -43.61 97.45 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.05 -44.91 94.53 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.28 -49.74 76.08 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.55 -45.9 92.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.15 -44.51 79.3 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.86 -41.46 97.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.69 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -57.43 -49.23 76.89 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -60.04 -40.79 90.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.634 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.57 97.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.729 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.7 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.651 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.49 -45.21 95.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.44 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.32 -41.46 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.4 -41.64 97.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.8 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.59 94.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.712 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.29 -29.52 69.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.141 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -80.7 -4.59 54.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.436 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.01 13.41 79.39 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.27 81.74 3.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.703 0.287 . . . . 0.0 110.282 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -64.95 -34.71 79.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.661 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.49 82.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.043 0.449 . . . . 0.0 110.73 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.57 81.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.348 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.87 -47.47 80.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.564 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -61.47 -43.7 98.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.623 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.6 99.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.53 -41.09 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.582 ' O ' ' NH2' ' A' ' 88' ' ' ARG . 90.9 mtp -62.08 -42.23 98.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.633 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.25 -44.39 97.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.955 0.407 . . . . 0.0 110.544 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.72 -42.48 95.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -60.3 -47.7 84.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.55 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -59.83 -42.89 94.56 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.332 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.5 mtp -61.48 -42.12 98.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.207 0.527 . . . . 0.0 110.532 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.22 97.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.214 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' A' ' 18' ' ' ALA . 88.6 mt -65.15 -39.93 93.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.69 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.08 -41.41 96.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.26 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -64.63 -39.98 94.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.034 0.445 . . . . 0.0 110.217 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.03 74.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.84 -39.02 87.5 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 53' ' ' LEU . 37.6 mt -60.54 -43.94 96.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.292 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.61 -43.48 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.073 0.463 . . . . 0.0 110.02 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -59.84 -43.41 94.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.227 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 m -56.45 -42.88 78.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.003 0.43 . . . . 0.0 110.022 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.57 -40.5 94.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.511 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.413 HD11 HG11 ' A' ' 7' ' ' VAL . 97.7 mt -68.37 -39.75 81.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.733 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.07 -40.02 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.486 -179.033 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 70' ' ' VAL . 30.3 m . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 121.014 0.435 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.653 ' O ' HG23 ' A' ' 75' ' ' VAL . 86.0 p -131.13 165.25 23.71 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.61 HD13 ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -56.99 -48.36 78.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.638 -179.503 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.624 HG13 HG21 ' A' ' 8' ' ' VAL . 53.7 t -63.08 -47.13 94.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.542 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.58 -40.38 96.7 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 71' ' ' SER . 54.5 t -59.15 -47.53 89.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.189 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -59.35 -45.27 91.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.324 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.91 93.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.07 -39.36 94.49 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.125 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.514 HD21 ' SD ' ' C' ' 82' ' ' MET . 35.1 tp -56.49 -48.34 77.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.427 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -67.62 -46.95 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.727 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.42 -47.45 84.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.885 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.23 -44.71 95.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.175 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.9 p -62.63 -45.37 93.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.118 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.8 p -62.34 -47.24 85.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.511 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.529 ' SD ' ' C ' ' A' ' 85' ' ' MET . 16.3 tmm? -59.05 -47.77 84.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.556 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.21 -45.36 94.9 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.102 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.05 91.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.89 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.582 ' NH2' ' O ' ' A' ' 41' ' ' MET . 15.2 tpt85 -61.67 -45.26 94.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.136 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.85 -47.56 85.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.09 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.81 -40.44 95.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.225 0.536 . . . . 0.0 109.869 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.495 HD13 ' HB1' ' A' ' 22' ' ' ALA . 33.6 mt -60.7 -41.98 90.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.5 m -57.47 -46.05 84.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.005 0.431 . . . . 0.0 109.849 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.427 ' CD ' ' CD2' ' B' ' 26' ' ' LEU . 99.1 mt-10 -62.51 -42.8 99.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.636 179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.543 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.7 mt -60.06 -43.63 95.27 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.28 -43.16 96.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.508 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -60.11 -39.51 86.48 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.819 HD21 ' NE2' ' B' ' 98' ' ' HIS . 39.4 mt -62.19 -42.15 99.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.856 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.697 ' NE2' HD21 ' C' ' 97' ' ' LEU . 70.6 m80 -59.93 -40.88 90.44 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -64.36 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.189 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.25 -39.99 94.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.211 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.354 179.653 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.601 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.4 mt . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.575 0.226 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.0 -46.89 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.39 . . . . 0.0 110.333 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -67.67 -36.23 80.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.183 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.419 HG11 HD11 ' B' ' 58' ' ' LEU . 96.3 t -64.2 -42.35 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.603 HG21 HG13 ' B' ' 73' ' ' VAL . 68.3 t -60.24 -44.06 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.884 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -59.18 -41.42 88.45 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.55 -42.21 97.54 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -62.59 -42.78 99.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.752 0.31 . . . . 0.0 110.361 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.48 -44.09 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.666 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.07 -44.41 99.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.972 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -61.25 -46.13 91.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.873 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.5 t -60.49 -44.31 96.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.129 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.71 -43.09 98.33 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.2 -45.45 91.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.449 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.88 -49.53 76.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.906 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.67 -45.75 92.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.24 -44.33 79.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.06 -41.59 98.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.667 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.508 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -57.53 -48.93 77.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -60.33 -40.78 91.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.647 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -43.73 96.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.718 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.84 84.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.605 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.427 ' CD2' ' CD ' ' A' ' 93' ' ' GLU . 58.2 tp -61.51 -45.14 95.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.287 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.37 -41.56 72.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.17 -41.54 96.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.864 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.39 96.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.684 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.27 -29.54 69.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.091 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.83 -4.43 54.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.376 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.88 13.37 79.7 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.31 81.49 3.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.75 0.309 . . . . 0.0 110.287 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -64.8 -34.83 79.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.526 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.66 81.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.33 80.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.466 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.11 78.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.509 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.89 -43.95 97.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.593 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.69 99.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.684 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.72 -40.73 92.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.592 ' O ' ' NH2' ' B' ' 88' ' ' ARG . 90.8 mtp -62.19 -42.42 99.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.99 -44.68 97.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.504 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.41 -42.51 96.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.1 m -60.48 -47.77 84.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.544 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -59.5 -43.04 93.45 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.26 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.6 mtp -61.35 -42.27 98.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.282 0.563 . . . . 0.0 110.619 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.93 97.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.449 HD21 ' CB ' ' B' ' 18' ' ' ALA . 87.7 mt -65.55 -39.66 91.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.695 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.3 -40.94 96.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.326 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -65.15 -39.5 93.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.177 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.9 73.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.405 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -60.89 -39.24 88.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.266 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.27 -44.21 95.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.324 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.56 -43.12 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.078 0.466 . . . . 0.0 110.003 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -60.3 -43.28 96.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.26 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -56.48 -42.96 79.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.923 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.4 -40.68 95.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.887 0.375 . . . . 0.0 110.523 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.419 HD11 HG11 ' B' ' 7' ' ' VAL . 97.8 mt -68.29 -39.74 82.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.13 -40.07 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.757 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.556 -178.918 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 70' ' ' VAL . 27.1 m . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.879 0.371 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.684 ' O ' HG23 ' B' ' 75' ' ' VAL . 97.1 p -131.04 166.86 20.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.521 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.608 ' O ' HD13 ' B' ' 72' ' ' LEU . 0.2 OUTLIER -58.78 -48.73 80.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.571 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.603 HG13 HG21 ' B' ' 8' ' ' VAL . 52.5 t -62.09 -46.72 95.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.654 -178.409 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.52 -40.31 96.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.046 0.45 . . . . 0.0 110.949 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 71' ' ' SER . 54.8 t -59.27 -47.58 89.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.254 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' B' ' 80' ' ' HIS . 15.6 tm-20 -59.5 -44.98 92.97 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.325 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.92 94.05 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.862 0.363 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.35 -39.03 93.43 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.166 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 83' ' ' THR . 34.5 tp -56.72 -48.06 78.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.413 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.601 ' CE1' ' OE2' ' B' ' 76' ' ' GLU . 63.4 m80 -67.96 -46.63 70.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.753 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.56 -47.27 84.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.49 -44.78 95.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.205 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.511 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.0 p -62.57 -45.31 93.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.197 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 79.0 p -62.27 -47.31 84.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.601 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.53 ' C ' ' SD ' ' B' ' 85' ' ' MET . 16.3 tmm? -59.13 -47.87 83.7 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.532 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.95 -45.42 94.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.147 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.72 88.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.938 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.592 ' NH2' ' O ' ' B' ' 41' ' ' MET . 15.1 tpt85 -61.07 -44.95 96.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.233 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.24 -47.63 85.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.189 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 90' ' ' LEU . 92.6 mt -64.69 -40.38 95.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.176 0.513 . . . . 0.0 110.051 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.508 HD13 ' HB1' ' B' ' 22' ' ' ALA . 33.7 mt -60.49 -42.04 89.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.192 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 72.4 m -57.67 -45.65 85.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.088 0.47 . . . . 0.0 109.868 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.435 ' CD ' ' CD2' ' C' ' 26' ' ' LEU . 98.7 mt-10 -62.95 -42.36 99.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.491 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.54 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.6 mt -60.6 -43.34 97.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.451 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.44 -43.09 96.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.461 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.22 -39.24 85.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.737 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.814 HD21 ' NE2' ' C' ' 98' ' ' HIS . 37.6 mt -62.77 -41.75 99.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.772 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.819 ' NE2' HD21 ' A' ' 97' ' ' LEU . 71.0 m80 -60.28 -40.88 91.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -64.38 -38.4 90.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.133 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -62.29 -39.92 94.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.166 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 179.449 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.613 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.6 mt . . . . . 0 N--CA 1.457 -0.119 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.0 -47.12 78.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.377 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.22 -36.18 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.282 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.53 -41.56 92.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.613 HG23 ' O ' ' C' ' 4' ' ' LEU . 67.4 t -60.87 -44.16 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.996 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mtp -59.13 -41.26 87.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.19 -42.63 97.89 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.63 -42.61 99.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.353 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.47 -44.0 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.731 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.35 -44.0 98.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.124 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -61.67 -45.93 91.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.824 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.66 -44.23 96.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.158 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.62 -43.58 97.74 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.1 -44.7 94.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.46 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.31 -50.11 74.77 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.45 -45.53 93.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.39 -44.46 80.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.89 -41.37 97.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.722 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.509 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -57.55 -48.96 77.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -60.23 -40.81 91.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.528 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.2 99.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.705 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.82 86.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.621 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.435 ' CD2' ' CD ' ' B' ' 93' ' ' GLU . 58.0 tp -61.72 -44.63 96.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.443 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -55.89 -41.24 74.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.546 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.6 -40.88 96.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.919 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.13 96.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.825 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.98 -29.11 70.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.062 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.87 -4.44 54.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.481 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.87 13.41 79.62 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -95.35 81.5 3.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.755 0.312 . . . . 0.0 110.238 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -64.88 -35.04 79.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.459 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.98 81.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.65 81.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.38 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.15 78.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.45 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -60.88 -43.79 97.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.559 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.09 99.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.37 -40.58 93.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.513 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.588 ' O ' ' NH2' ' C' ' 88' ' ' ARG . 91.2 mtp -62.46 -42.35 99.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.591 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.21 -44.44 97.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.448 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.75 -42.33 95.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.343 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -60.65 -47.51 85.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -59.71 -43.16 94.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.383 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.13 -41.92 97.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.313 0.577 . . . . 0.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.31 96.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.319 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' C' ' 18' ' ' ALA . 88.2 mt -65.23 -40.1 93.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.742 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.79 -41.34 95.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.356 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.8 -40.25 94.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.074 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.1 -45.98 75.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.423 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.544 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.7 t-80 -60.95 -38.96 87.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.357 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 mt -60.78 -43.51 97.99 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.338 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.86 -43.24 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.415 . . . . 0.0 109.922 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -60.29 -43.25 96.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.157 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.862 HG21 HG22 ' D' ' 356' ' ' THR . 17.5 m -56.54 -42.92 79.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.953 0.406 . . . . 0.0 110.183 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.55 -40.27 94.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.546 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' C' ' 58' ' ' LEU . 97.8 mt -68.38 -39.65 81.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.79 -179.718 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.69 ' O ' HG23 ' C' ' 75' ' ' VAL . 93.3 p . . . . . 0 C--O 1.227 -0.115 0 CA-C-O 121.058 0.456 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.685 HD13 ' O ' ' C' ' 72' ' ' LEU . 0.3 OUTLIER -58.79 -49.1 78.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.671 -177.503 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.555 HG13 HG21 ' C' ' 8' ' ' VAL . 50.3 t -62.81 -47.12 94.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 130.084 3.354 . . . . 0.0 110.571 -177.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.47 -39.98 94.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.058 0.456 . . . . 0.0 110.989 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.69 HG23 ' O ' ' C' ' 71' ' ' SER . 53.6 t -59.68 -48.18 88.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.215 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.579 ' OE2' ' CE1' ' C' ' 80' ' ' HIS . 15.4 tm-20 -59.32 -45.23 91.91 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.303 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.84 -44.38 93.35 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.925 0.393 . . . . 0.0 110.506 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -62.94 -39.21 93.93 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.259 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.5 ' O ' HG23 ' C' ' 83' ' ' THR . 34.0 tp -56.52 -48.15 77.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.467 -179.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 80' ' ' HIS . . . . . 0.579 ' CE1' ' OE2' ' C' ' 76' ' ' GLU . 62.5 m80 -67.97 -46.59 70.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.7 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.59 -47.38 84.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.871 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 82' ' ' MET . . . . . 0.514 ' SD ' HD21 ' A' ' 79' ' ' LEU . 94.0 mtp -62.36 -44.65 95.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.344 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.5 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.8 p -62.54 -45.84 91.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.18 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -61.8 -47.52 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.571 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 85' ' ' MET . . . . . 0.528 ' SD ' ' C ' ' C' ' 85' ' ' MET . 16.4 tmm? -58.76 -48.11 82.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.468 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.01 -45.27 95.51 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.094 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.47 89.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.001 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.588 ' NH2' ' O ' ' C' ' 41' ' ' MET . 15.3 tpt85 -61.5 -45.08 95.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.215 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.8 -47.82 84.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 110.149 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.73 -40.76 95.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.195 0.521 . . . . 0.0 110.037 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.509 HD13 ' HB1' ' C' ' 22' ' ' ALA . 33.3 mt -60.16 -41.9 88.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.418 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 69.7 m -57.72 -45.56 85.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.09 0.472 . . . . 0.0 109.938 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.12 -42.17 99.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.484 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.8 mt -60.63 -43.36 97.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.52 -43.11 96.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.553 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -60.0 -39.57 86.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.738 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.697 HD21 ' NE2' ' A' ' 98' ' ' HIS . 38.5 mt -62.23 -42.02 98.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.902 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.814 ' NE2' HD21 ' B' ' 97' ' ' LEU . 70.8 m80 -60.13 -40.9 91.39 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -64.39 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.156 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.15 -40.24 95.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.212 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.296 179.562 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 121.873 0.844 . . . . 0.0 108.923 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.3 t80 -139.84 142.94 36.57 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.31 38.62 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.916 -1.115 . . . . 0.0 109.506 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.11 149.16 28.49 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.33 18.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.035 -1.041 . . . . 0.0 108.365 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.93 144.39 19.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.4 m -96.64 136.55 37.01 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.092 0.949 . . . . 0.0 110.163 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -84.95 114.33 24.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.92 -4.23 19.36 Favored 'General case' 0 C--N 1.265 -3.073 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.806 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.83 85.76 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 119.754 -1.841 . . . . 0.0 110.595 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -45.47 -47.71 12.77 Favored 'Trans proline' 0 C--N 1.312 -1.395 0 C-N-CA 124.746 3.631 . . . . 0.0 114.099 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -102.12 27.57 6.54 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 116.128 -2.229 . . . . 0.0 108.763 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.91 -141.21 47.72 Favored Glycine 0 N--CA 1.497 2.737 0 C-N-CA 117.645 -2.217 . . . . 0.0 109.565 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.6 81.77 3.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.92 -1.341 . . . . 0.0 109.489 -176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -80.33 176.21 9.97 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 117.872 -1.531 . . . . 0.0 112.154 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 74.8 p -34.58 -65.88 0.19 Allowed 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.525 ' NH1' ' C ' ' A' ' 16' ' ' GLY . 4.5 tpt180 -55.73 -56.73 26.71 Favored Pre-proline 0 N--CA 1.493 1.694 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.566 -177.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.1 -32.13 64.29 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.156 1.237 . . . . 0.0 111.578 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.475 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.03 -38.84 86.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.234 -0.916 . . . . 0.0 109.464 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.79 72.57 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -63.94 -39.37 94.0 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 117.975 -1.49 . . . . 0.0 109.453 177.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.76 -45.28 93.41 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 122.586 1.184 . . . . 0.0 108.647 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.475 HG23 ' O ' ' D' ' 319' ' ' ALA . 56.4 t -62.61 -42.22 95.12 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.725 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -63.92 -40.27 96.09 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.74 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.535 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.84 -39.62 79.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.423 -0.798 . . . . 0.0 109.569 178.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.92 91.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.603 -1.31 . . . . 0.0 109.446 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.38 -16.29 44.91 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.85 -10.56 86.04 Favored Glycine 0 N--CA 1.48 1.581 0 O-C-N 119.93 -1.731 . . . . 0.0 109.308 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.404 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.48 143.38 32.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.32 -1.694 . . . . 0.0 110.039 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.6 -30.13 59.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.178 -0.951 . . . . 0.0 112.339 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.71 158.54 10.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 119.808 -1.807 . . . . 0.0 112.78 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.58 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.2 35.37 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 102.858 -3.016 . . . . 0.0 102.858 171.219 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.62 136.59 60.36 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.393 0 CA-C-O 122.254 1.026 . . . . 0.0 109.309 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.4 m -124.91 143.16 51.01 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 123.056 1.407 . . . . 0.0 110.009 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.8 t -108.02 129.9 61.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 173.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.9 m -127.41 119.55 26.43 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.9 -1.125 . . . . 0.0 108.988 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.54 39.13 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.548 -0.72 . . . . 0.0 109.912 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.83 38.97 24.7 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.895 -1.128 . . . . 0.0 112.745 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.01 83.62 Favored Glycine 0 N--CA 1.501 2.994 0 O-C-N 119.878 -1.764 . . . . 0.0 112.532 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.87 136.31 54.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 177.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.9 m -124.86 158.61 33.02 Favored 'General case' 0 C--N 1.276 -2.609 0 CA-C-O 123.761 1.743 . . . . 0.0 112.425 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.35 31.31 Favored 'General case' 0 C--N 1.279 -2.489 0 CA-C-N 112.462 -2.154 . . . . 0.0 108.597 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.58 135.98 48.89 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 173.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.96 -6.73 47.26 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.656 -1.278 . . . . 0.0 110.736 179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.54 13.01 31.47 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.657 -1.277 . . . . 0.0 109.386 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.3 p -133.03 104.11 6.37 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.108 0.956 . . . . 0.0 110.188 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.7 tp -57.21 -37.91 72.92 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.971 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 348' ' ' PHE . . . . . 0.404 ' CZ ' ' OE2' ' A' ' 5' ' ' GLU . 21.2 m-85 -58.91 -51.36 70.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.652 -1.28 . . . . 0.0 113.094 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.04 -32.44 70.57 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 119.572 -1.955 . . . . 0.0 109.256 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.8 -33.75 75.85 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 118.981 -1.088 . . . . 0.0 109.945 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -67.63 -10.36 51.48 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.659 -0.651 . . . . 0.0 110.015 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.6 p -89.83 -7.8 53.48 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 118.183 -1.407 . . . . 0.0 110.875 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.33 159.28 15.33 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.181 -0.949 . . . . 0.0 110.2 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 106.894 -2.482 . . . . 0.0 106.894 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.9 mt -119.55 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.215 0 O-C-N 120.632 -1.511 . . . . 0.0 107.352 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 73.3 p -81.5 172.58 13.32 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.219 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -60.68 140.88 57.33 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.845 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.5 -3.26 78.75 Favored Glycine 0 N--CA 1.5 2.906 0 C-N-CA 120.057 -1.068 . . . . 0.0 111.322 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.42 135.93 34.06 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.892 -1.358 . . . . 0.0 110.634 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.7 t -96.52 123.64 48.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.08 160.11 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.305 0 C-N-CA 117.416 -1.714 . . . . 0.0 110.707 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.9 128.36 54.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.502 -1.374 . . . . 0.0 107.547 175.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.2 mt -107.9 121.36 60.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.22 50.69 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.71 153.33 47.21 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 118.582 -1.247 . . . . 0.0 109.801 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.07 110.8 6.46 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 118.556 -1.257 . . . . 0.0 108.057 178.174 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.33 40.17 Favored Glycine 0 C--N 1.295 -1.726 0 C-N-CA 118.025 -2.035 . . . . 0.0 110.358 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.4 -40.6 82.85 Favored 'General case' 0 C--N 1.276 -2.612 0 CA-C-N 114.384 -0.908 . . . . 0.0 112.18 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.09 36.83 3.53 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 115.87 -2.332 . . . . 0.0 108.531 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.3 -33.6 65.71 Favored 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -174.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.475 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.59 27.24 Favored 'General case' 0 N--CA 1.509 2.511 0 O-C-N 119.585 -1.947 . . . . 0.0 110.981 -176.557 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.762 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.74 97.9 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.54 77.5 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.437 -1.705 . . . . 0.0 110.069 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.77 -42.24 89.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 CA-C-O 122.197 0.999 . . . . 0.0 109.291 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.86 -47.93 76.43 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 122.037 0.922 . . . . 0.0 108.734 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.762 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.76 -38.36 76.75 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.732 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.9 mt -75.51 -28.67 59.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.449 -1.407 . . . . 0.0 110.908 -174.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.48 71.27 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.413 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.27 63.01 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.535 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.2 tp -57.21 -45.27 83.96 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.066 -1.054 . . . . 0.0 110.523 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.39 -37.31 85.26 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.893 -1.129 . . . . 0.0 111.518 -177.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.83 61.6 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.039 -1.038 . . . . 0.0 110.223 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.32 45.86 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.554 -0.716 . . . . 0.0 111.35 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.02 125.51 12.27 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 124.315 2.007 . . . . 0.0 112.925 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.806 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 13.9 pt-20 . . . . . 0 C--N 1.277 -2.57 0 CA-C-N 111.128 -2.76 . . . . 0.0 110.128 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.691 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.3 mt . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.404 ' OE2' ' CZ ' ' D' ' 348' ' ' PHE . 84.2 tt0 -63.49 -50.08 71.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.922 0.391 . . . . 0.0 110.28 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -66.5 -36.78 83.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.334 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.494 HG11 HD11 ' A' ' 58' ' ' LEU . 73.2 t -63.45 -42.71 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.376 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 4' ' ' LEU . 76.3 t -60.34 -45.03 97.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.972 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -59.54 -41.66 90.58 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.36 -42.08 99.25 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.73 -43.26 97.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.26 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.16 -44.29 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.8 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.92 -44.23 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.985 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 47.0 t-20 -61.65 -45.47 93.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.811 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.4 p -60.03 -44.12 94.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.98 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.525 ' C ' ' NH1' ' D' ' 317' ' ' ARG . . . -63.91 -42.23 98.43 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.4 -43.38 97.71 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.492 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.38 -49.1 78.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.839 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.53 -45.77 92.61 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.7 m -55.0 -43.76 73.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.41 -41.03 98.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.65 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.16 -47.79 82.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.27 -41.88 89.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.63 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.13 91.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.698 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.71 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.683 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.78 -45.68 92.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.391 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -54.27 -43.59 71.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.84 -41.48 87.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.846 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.61 -43.79 93.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.779 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.85 -30.93 70.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.094 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -82.54 -5.0 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.465 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.64 15.26 78.33 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -96.56 81.47 3.22 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.763 0.316 . . . . 0.0 110.275 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -65.07 -33.6 76.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.653 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.39 79.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 110.741 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.25 80.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.319 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.84 82.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.584 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.53 -42.61 99.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.6 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.92 99.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.796 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.7 mtt -66.08 -41.8 90.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.463 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.452 ' O ' ' OG ' ' A' ' 44' ' ' SER . 72.3 mtm -63.77 -41.85 97.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.645 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.53 -45.18 94.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 110.578 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.84 -41.18 97.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.166 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 41' ' ' MET . 77.5 p -61.15 -46.0 92.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HE ' ' NH2' ' A' ' 88' ' ' ARG . 42.2 ttm180 -59.89 -42.67 94.34 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.3 ttp -60.17 -43.55 95.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.185 0.516 . . . . 0.0 110.639 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.21 -41.77 99.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.174 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.492 HD21 ' CB ' ' A' ' 18' ' ' ALA . 94.9 mt -65.24 -40.27 93.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.684 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.2 -41.34 96.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.269 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.86 -39.76 94.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.217 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.528 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.49 -45.33 79.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.41 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -62.43 -38.52 90.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.419 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.59 -43.07 99.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.305 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.48 -43.5 94.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.449 . . . . 0.0 110.05 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.526 ' OE1' ' CD1' ' A' ' 59' ' ' ILE . 1.1 tm0? -61.06 -42.36 98.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.297 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 m -56.21 -44.36 79.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.021 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -61.39 -37.36 83.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.497 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.494 HD11 HG11 ' A' ' 7' ' ' VAL . 96.5 mt -64.75 -28.32 69.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.689 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.526 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 96.0 mt -89.93 -33.03 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.597 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.945 0.402 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 p -128.31 161.76 28.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.52 -43.77 80.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.676 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.593 HG13 HG21 ' A' ' 8' ' ' VAL . 53.2 t -63.06 -44.12 99.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.903 0.382 . . . . 0.0 110.579 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.98 -41.66 98.28 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.975 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.7 -46.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.191 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -58.2 -46.62 85.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.791 0.329 . . . . 0.0 110.248 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.07 98.27 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.638 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.647 ' NE2' ' OE2' ' B' ' 76' ' ' GLU . 25.4 mt-30 -63.22 -40.04 96.34 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.196 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 83' ' ' THR . 46.4 tp -57.69 -46.57 84.14 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.444 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -67.82 -47.75 68.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.727 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.57 -46.0 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.805 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -63.0 -44.09 96.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.155 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.6 p -63.6 -48.22 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.049 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.9 t -61.73 -48.55 80.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.443 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.2 ttp -57.93 -48.24 80.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.512 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' B' ' 87' ' ' ALA . 8.8 tp -61.95 -45.25 94.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.876 0.369 . . . . 0.0 110.087 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.37 -47.54 85.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.811 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.411 ' NH2' ' HE ' ' A' ' 45' ' ' ARG . 3.3 tmt_? -58.85 -45.02 91.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.112 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.73 -44.26 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.109 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.0 mt -64.75 -43.99 91.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.168 0.508 . . . . 0.0 109.895 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.09 -42.01 91.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.306 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.424 HG23 ' SD ' ' A' ' 41' ' ' MET . 86.9 m -57.56 -45.77 84.73 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.639 -0.425 . . . . 0.0 109.869 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.438 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.2 mt-10 -62.81 -41.85 99.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.545 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.436 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 16.6 mt -60.32 -42.02 94.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.21 -42.84 94.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.516 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.583 ' OE2' ' NZ ' ' B' ' 30' ' ' LYS . 84.5 tt0 -60.65 -38.83 86.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.735 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 97' ' ' LEU . 39.0 mt -61.9 -41.09 97.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.888 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.6 m80 -59.67 -40.32 87.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.68 -41.44 81.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.201 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -62.71 -33.6 75.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.275 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.406 179.615 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.692 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.5 mt . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 120.592 0.234 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.57 -50.0 71.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.982 0.42 . . . . 0.0 110.402 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -66.33 -36.87 84.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.226 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.476 HG11 HD11 ' B' ' 58' ' ' LEU . 71.0 t -63.55 -42.22 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.362 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.692 HG23 ' O ' ' B' ' 4' ' ' LEU . 75.5 t -60.88 -45.03 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.914 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.7 mtp -59.34 -41.8 90.02 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.49 -42.16 99.05 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 11' ' ' LEU . 85.9 mt -63.58 -43.05 98.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.798 0.333 . . . . 0.0 110.344 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.44 -44.51 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.722 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.54 -44.54 98.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.912 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.536 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 48.3 t-20 -61.41 -45.55 93.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.881 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -59.93 -43.9 94.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.135 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.22 -41.99 98.1 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.5 -43.34 97.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.479 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.34 -49.17 78.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.922 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.59 -45.51 93.69 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.6 m -55.15 -43.89 74.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.97 -41.73 98.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.793 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.76 81.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -59.3 -41.56 89.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.68 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.84 91.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.639 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.8 91.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.696 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.72 -45.83 92.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.328 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.2 -43.61 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.75 -41.34 86.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.903 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.88 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.698 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.583 ' NZ ' ' OE2' ' A' ' 96' ' ' GLU . 67.9 mttm -60.7 -31.0 70.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.05 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -82.44 -5.2 58.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.419 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.48 15.56 77.88 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -96.37 80.74 3.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.774 0.321 . . . . 0.0 110.34 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -64.55 -33.63 76.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.587 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.46 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.012 0.434 . . . . 0.0 110.737 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.03 79.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.442 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.83 82.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.577 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.52 -42.51 98.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.574 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.41 98.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.683 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.68 -41.54 92.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.516 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.46 ' O ' ' OG ' ' B' ' 44' ' ' SER . 72.6 mtm -63.95 -42.16 97.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.558 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.16 -45.36 93.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.458 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.79 -40.88 97.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.333 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.3 p -61.44 -46.09 91.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.49 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.43 ' HE ' ' NH2' ' B' ' 88' ' ' ARG . 42.2 ttm180 -59.83 -42.74 94.21 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 64.8 ttp -60.03 -44.03 94.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.277 0.561 . . . . 0.0 110.675 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.98 99.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.182 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' B' ' 18' ' ' ALA . 94.1 mt -64.97 -40.25 94.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.757 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.3 -41.45 96.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.38 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.77 -39.57 93.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.194 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.536 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.6 -45.31 79.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.415 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -62.54 -38.58 90.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.293 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' B' ' 53' ' ' LEU . 39.6 mt -61.41 -43.32 99.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.317 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -65.0 -44.03 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.141 0.496 . . . . 0.0 110.038 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.535 ' OE1' ' CD1' ' B' ' 59' ' ' ILE . 1.1 tm0? -60.75 -42.34 97.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.204 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -56.45 -44.11 80.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.947 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.4 -37.35 83.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.915 0.388 . . . . 0.0 110.527 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.476 HD11 HG11 ' B' ' 7' ' ' VAL . 96.3 mt -64.84 -28.27 69.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.692 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.535 ' CD1' ' OE1' ' B' ' 55' ' ' GLN . 96.2 mt -89.97 -32.92 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.73 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.94 0.4 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 13.3 p -127.94 164.33 22.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.5 -178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.72 -43.05 94.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.561 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.577 HG13 HG21 ' B' ' 8' ' ' VAL . 54.9 t -63.01 -43.39 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.561 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.21 -41.16 98.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.037 0.446 . . . . 0.0 110.945 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -60.06 -46.77 93.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.298 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.647 ' OE2' ' NE2' ' A' ' 78' ' ' GLN . 44.8 tp10 -58.29 -46.17 86.6 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.299 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.19 97.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.895 0.378 . . . . 0.0 110.433 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' GLN . . . . . 0.655 ' NE2' ' OE2' ' C' ' 76' ' ' GLU . 25.3 mt-30 -63.11 -39.6 95.16 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.187 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.512 ' O ' HG23 ' B' ' 83' ' ' THR . 43.6 tp -58.13 -46.73 85.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.381 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -67.65 -47.92 68.19 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.796 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.23 -46.44 90.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.39 -44.34 96.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.256 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.512 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.6 p -63.62 -47.79 79.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.127 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -61.76 -48.56 80.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -58.17 -48.54 79.96 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.458 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' C' ' 87' ' ' ALA . 8.8 tp -61.63 -45.34 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.096 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -59.07 -47.93 83.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.905 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.43 ' NH2' ' HE ' ' B' ' 45' ' ' ARG . 3.2 tmt_? -58.36 -45.32 88.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.245 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.69 -44.13 97.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.117 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.85 -43.77 91.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.062 0.458 . . . . 0.0 109.994 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.1 -42.29 92.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.197 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.42 HG23 ' SD ' ' B' ' 41' ' ' MET . 90.1 m -57.3 -45.6 83.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.018 0.437 . . . . 0.0 109.835 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.441 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.3 mt-10 -63.16 -41.73 99.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.495 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.472 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 16.4 mt -60.33 -42.08 94.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.08 -42.91 95.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.52 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' GLU . . . . . 0.543 ' OE2' ' NZ ' ' C' ' 30' ' ' LYS . 84.5 tt0 -60.62 -38.87 86.19 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.96 -41.08 97.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.861 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.4 m80 -59.65 -39.8 85.58 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.15 -41.66 84.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.097 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -62.87 -33.4 75.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.224 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.403 HD21 HD21 ' C' ' 101' ' ' LEU . 84.2 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.409 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.703 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.5 mt . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.6 0.238 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.48 -49.63 72.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.407 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -66.88 -36.44 82.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.348 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.471 HG11 HD11 ' C' ' 58' ' ' LEU . 71.7 t -63.65 -42.26 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.364 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.703 HG23 ' O ' ' C' ' 4' ' ' LEU . 75.1 t -60.87 -45.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.986 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.13 -41.89 89.33 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.18 99.21 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.41 -43.08 98.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.41 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.47 -44.53 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.674 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.5 -44.38 98.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.083 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.532 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 47.6 t-20 -61.37 -45.8 92.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.826 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 79.6 p -59.79 -43.92 94.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.156 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.09 -42.08 98.23 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.63 -43.45 96.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.479 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.18 -49.07 78.31 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.9 -45.48 94.44 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 65.5 m -55.09 -44.18 74.62 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.58 -41.62 97.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.741 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.62 82.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.37 -41.72 89.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.428 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.29 90.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.47 93.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.59 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.89 -45.79 92.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.389 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -54.26 -43.65 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -58.79 -41.07 85.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.882 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.0 94.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.808 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OE2' ' B' ' 96' ' ' GLU . 68.0 mttm -60.7 -30.84 70.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.998 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -82.32 -5.2 58.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.487 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.62 15.48 77.86 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -96.53 80.78 3.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.781 0.324 . . . . 0.0 110.316 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -64.48 -33.79 76.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.537 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.34 -48.18 80.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.67 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.16 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.403 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -47.83 82.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.512 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.45 -42.76 99.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.629 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.0 99.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.94 -41.93 90.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.559 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.464 ' O ' ' OG ' ' C' ' 44' ' ' SER . 73.1 mtm -63.73 -41.94 97.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.603 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.25 -45.68 92.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.48 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.56 -40.79 97.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.332 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' C' ' 41' ' ' MET . 77.4 p -61.53 -45.85 92.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.494 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.424 ' HE ' ' NH2' ' C' ' 88' ' ' ARG . 42.2 ttm180 -59.99 -42.64 94.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.354 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.4 ttp -60.31 -43.9 95.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.316 0.579 . . . . 0.0 110.528 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.15 99.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.356 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' C' ' 18' ' ' ALA . 94.4 mt -64.63 -40.86 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.705 179.178 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -60.8 -41.54 95.84 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.364 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.6 -39.84 94.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.989 0.423 . . . . 0.0 110.065 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.532 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.44 -45.65 79.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.434 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.0 -38.96 90.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.4 -42.86 99.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.291 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.7 t -65.48 -43.8 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.963 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.526 ' OE1' ' CD1' ' C' ' 59' ' ' ILE . 1.1 tm0? -60.9 -42.58 98.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.313 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -55.93 -44.28 78.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.195 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.24 -37.39 82.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.485 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.471 HD11 HG11 ' C' ' 7' ' ' VAL . 96.2 mt -64.76 -28.16 69.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.526 ' CD1' ' OE1' ' C' ' 55' ' ' GLN . 96.3 mt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.227 -0.126 0 CA-C-O 121.089 0.471 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.41 -44.4 92.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.698 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.547 HG13 HG21 ' C' ' 8' ' ' VAL . 54.6 t -63.03 -44.21 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 130.087 3.355 . . . . 0.0 110.576 -177.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.9 -40.89 97.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.044 0.449 . . . . 0.0 110.992 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -60.4 -47.25 93.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.21 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.655 ' OE2' ' NE2' ' B' ' 78' ' ' GLN . 45.2 tp10 -58.55 -46.03 87.71 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.23 97.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.427 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -63.11 -40.26 97.1 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.302 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.522 ' O ' HG23 ' C' ' 83' ' ' THR . 43.2 tp -57.24 -47.13 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.457 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -67.35 -48.15 68.36 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.737 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.16 -46.12 91.85 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.858 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.7 -44.13 97.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.306 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.522 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.5 p -63.81 -47.85 79.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.21 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -61.91 -48.23 81.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.589 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -58.42 -48.25 81.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.501 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -61.88 -45.17 94.91 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.146 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 87' ' ' ALA . . . . . 0.573 ' HB2' HD11 ' B' ' 86' ' ' LEU . . . -59.26 -47.66 84.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.894 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.424 ' NH2' ' HE ' ' C' ' 45' ' ' ARG . 3.3 tmt_? -58.48 -45.55 88.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.232 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.32 -44.37 96.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.133 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.59 -43.99 92.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.135 0.493 . . . . 0.0 110.03 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.2 -42.01 91.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.358 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.42 HG23 ' SD ' ' C' ' 41' ' ' MET . 91.2 m -57.46 -45.75 84.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.123 0.487 . . . . 0.0 109.947 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.06 -41.81 99.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.469 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.481 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 16.6 mt -59.89 -42.43 93.79 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.8 mt -60.83 -42.94 94.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.609 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.37 -38.97 85.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.755 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.94 -41.18 97.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.91 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.481 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 72.0 m80 -59.5 -39.77 84.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.743 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.32 -41.3 84.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.114 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -62.97 -33.57 75.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.195 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 101' ' ' LEU . . . . . 0.403 HD21 HD21 ' B' ' 101' ' ' LEU . 85.9 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.354 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 121.849 0.833 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 142.99 36.72 Favored 'General case' 0 C--N 1.287 -2.145 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.99 156.31 38.59 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.994 -1.066 . . . . 0.0 109.561 179.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.16 28.49 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.33 18.94 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.047 -1.033 . . . . 0.0 108.361 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.33 19.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.77 136.69 36.95 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.194 0.997 . . . . 0.0 110.083 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -85.04 114.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.86 -4.34 19.34 Favored 'General case' 0 C--N 1.265 -3.088 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.812 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.78 85.76 Favored Pre-proline 0 N--CA 1.5 2.033 0 O-C-N 119.657 -1.902 . . . . 0.0 110.618 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -45.45 -47.76 12.65 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 124.777 3.651 . . . . 0.0 114.116 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.403 ' HA ' ' NE2' ' C' ' 52' ' ' HIS . 42.3 p30 -102.11 27.66 6.45 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 116.026 -2.269 . . . . 0.0 108.758 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.43 -142.24 46.99 Favored Glycine 0 N--CA 1.498 2.777 0 C-N-CA 117.646 -2.216 . . . . 0.0 109.584 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.2 tp -93.35 81.18 4.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.333 . . . . 0.0 109.555 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 315' ' ' HIS . . . . . 0.531 ' CE1' ' HD3' ' D' ' 318' ' ' PRO . 6.9 p-80 -79.21 177.16 9.03 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 117.885 -1.526 . . . . 0.0 112.161 -178.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.476 ' H ' HG23 ' D' ' 316' ' ' THR . 17.9 p -35.72 -65.73 0.23 Allowed 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -176.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.44 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 13.9 ttt-85 -56.26 -56.35 32.37 Favored Pre-proline 0 N--CA 1.493 1.705 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.51 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.531 ' HD3' ' CE1' ' D' ' 315' ' ' HIS . 21.0 Cg_endo -64.06 -32.13 64.76 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.365 1.376 . . . . 0.0 111.541 -177.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.437 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.02 -38.84 86.66 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.251 -0.906 . . . . 0.0 109.492 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.466 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.92 -39.71 72.54 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.97 -39.35 93.93 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.959 -1.496 . . . . 0.0 109.508 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.77 -45.34 93.14 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 122.564 1.173 . . . . 0.0 108.633 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.437 HG23 ' O ' ' D' ' 319' ' ' ALA . 56.0 t -62.66 -42.16 94.98 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.264 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.677 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.501 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.5 mttt -63.93 -40.26 96.04 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.317 -0.864 . . . . 0.0 109.781 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.536 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.63 79.94 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.46 -0.775 . . . . 0.0 109.617 177.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.93 91.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.594 -1.316 . . . . 0.0 109.47 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.41 -16.19 44.21 Favored 'General case' 0 N--CA 1.511 2.6 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.55 86.07 Favored Glycine 0 N--CA 1.48 1.583 0 O-C-N 119.88 -1.762 . . . . 0.0 109.348 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.412 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.51 143.31 32.9 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.287 -1.713 . . . . 0.0 110.002 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.8 p -75.58 -30.04 59.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.244 -0.91 . . . . 0.0 112.34 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.8 158.58 10.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 119.842 -1.786 . . . . 0.0 112.75 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.582 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.32 35.44 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 102.862 -3.014 . . . . 0.0 102.862 171.256 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.71 136.65 60.18 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.487 0 CA-C-O 122.185 0.993 . . . . 0.0 109.301 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.1 m -125.06 143.27 51.0 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-O 123.123 1.44 . . . . 0.0 109.933 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.1 t -108.14 129.92 61.57 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.702 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 173.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.44 119.6 26.49 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.851 -1.156 . . . . 0.0 108.917 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.62 122.58 39.18 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.901 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.5 t30 51.73 39.01 24.47 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.866 -1.146 . . . . 0.0 112.781 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.1 83.51 Favored Glycine 0 N--CA 1.501 3.029 0 O-C-N 119.912 -1.743 . . . . 0.0 112.549 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.94 136.26 54.59 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.78 158.59 32.96 Favored 'General case' 0 C--N 1.276 -2.588 0 CA-C-O 123.796 1.76 . . . . 0.0 112.399 -176.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.46 31.51 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 112.436 -2.166 . . . . 0.0 108.594 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.62 135.86 48.74 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 105.634 -1.988 . . . . 0.0 105.634 173.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.446 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.94 -6.78 47.54 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.701 -1.249 . . . . 0.0 110.753 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.46 12.98 31.44 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.665 -1.272 . . . . 0.0 109.367 -177.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 97.3 p -133.09 104.23 6.41 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 122.213 1.006 . . . . 0.0 110.127 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 347' ' ' LEU . . . . . 0.536 HD22 ' CE ' ' A' ' 9' ' ' MET . 66.0 tp -57.27 -37.9 73.08 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.964 178.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -58.9 -51.29 70.65 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.565 -1.334 . . . . 0.0 113.086 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.08 -32.53 70.65 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 119.589 -1.945 . . . . 0.0 109.197 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.67 -33.8 75.79 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.954 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -67.69 -10.47 52.7 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.588 -0.695 . . . . 0.0 109.945 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.8 p -89.7 -7.78 53.82 Favored 'General case' 0 N--CA 1.503 2.194 0 C-N-CA 118.089 -1.445 . . . . 0.0 110.917 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.8 mt -93.31 159.36 15.3 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.177 -0.952 . . . . 0.0 110.135 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.82 2.96 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 106.992 -2.443 . . . . 0.0 106.992 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.0 mt -119.56 47.3 1.74 Allowed 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.719 -1.46 . . . . 0.0 107.366 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.848 HG22 HG21 ' C' ' 56' ' ' THR . 4.0 p -81.41 172.52 13.44 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.77 -1.172 . . . . 0.0 109.184 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.63 140.92 57.24 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.897 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.28 78.99 Favored Glycine 0 N--CA 1.5 2.941 0 C-N-CA 119.978 -1.106 . . . . 0.0 111.378 177.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.6 m -84.37 135.85 34.12 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.87 -1.371 . . . . 0.0 110.66 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.48 123.72 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.495 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.08 160.1 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.326 0 C-N-CA 117.409 -1.716 . . . . 0.0 110.69 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 88.5 m -108.92 128.29 54.8 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.549 -1.344 . . . . 0.0 107.681 175.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.86 121.35 60.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.31 50.69 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.39 47.15 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 118.48 -1.288 . . . . 0.0 109.726 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.78 6.43 Favored 'General case' 0 C--N 1.287 -2.122 0 C-N-CA 118.535 -1.266 . . . . 0.0 108.059 178.201 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.16 -170.31 40.09 Favored Glycine 0 C--N 1.296 -1.687 0 C-N-CA 118.011 -2.042 . . . . 0.0 110.365 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.68 82.87 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.356 -0.922 . . . . 0.0 112.169 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.05 36.86 3.51 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 115.874 -2.33 . . . . 0.0 108.538 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.6 65.82 Favored 'General case' 0 N--CA 1.521 3.078 0 N-CA-C 116.863 2.171 . . . . 0.0 116.863 -174.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.441 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.57 27.32 Favored 'General case' 0 N--CA 1.509 2.498 0 O-C-N 119.503 -1.998 . . . . 0.0 110.987 -176.541 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.772 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.6 -40.7 97.59 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.5 77.65 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 117.463 -1.695 . . . . 0.0 110.066 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.5 t -66.88 -42.25 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-O 122.148 0.975 . . . . 0.0 109.198 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.89 76.55 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-O 122.089 0.947 . . . . 0.0 108.774 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.772 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.7 -38.44 76.96 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.69 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' D' ' 377' ' ' LEU . 81.0 mt -75.55 -28.61 59.1 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.397 -1.44 . . . . 0.0 110.911 -174.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.43 70.57 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.426 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.96 -49.23 62.98 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.536 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.2 -45.3 83.92 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.518 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.495 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.31 -37.43 85.52 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.832 -1.168 . . . . 0.0 111.554 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.81 -31.92 61.85 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.079 -1.013 . . . . 0.0 110.275 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.79 -32.33 46.39 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.534 -0.729 . . . . 0.0 111.367 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.15 125.53 12.51 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 124.321 2.01 . . . . 0.0 112.939 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.812 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.1 mt-10 . . . . . 0 C--N 1.277 -2.573 0 CA-C-N 111.133 -2.758 . . . . 0.0 110.148 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.8 mt . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 6' ' ' GLU . 15.0 pt-20 -65.08 -43.8 90.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.886 0.374 . . . . 0.0 110.264 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.508 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 97.5 mt-10 -66.91 -34.86 78.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.239 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.41 HG11 HD11 ' A' ' 58' ' ' LEU . 75.8 t -63.24 -43.11 98.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.638 HG21 HG13 ' A' ' 73' ' ' VAL . 80.5 t -60.98 -43.99 97.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.974 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.536 ' CE ' HD22 ' D' ' 347' ' ' LEU . 93.3 mtp -58.86 -42.27 89.02 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.07 -41.36 97.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.35 -43.1 98.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.373 . . . . 0.0 110.162 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.07 -44.03 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.713 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.501 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 90.1 mt -63.58 -44.28 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.941 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.89 -46.36 89.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.803 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.2 m -60.12 -44.63 94.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.003 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.9 -42.66 99.63 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.15 -43.36 98.52 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.453 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -57.33 -49.3 76.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.859 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.64 -46.15 91.4 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -54.78 -44.41 73.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.31 -42.88 99.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.688 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.661 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -58.57 -50.16 74.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.53 -41.6 90.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.631 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.78 92.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.764 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.69 90.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.661 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.28 -45.12 95.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.446 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.48 -42.17 74.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.84 -41.61 96.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.83 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.47 93.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.667 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.27 -29.58 69.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.164 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.65 -4.1 53.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.26 14.26 74.77 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -97.25 80.59 2.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.76 0.314 . . . . 0.0 110.28 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -64.94 -34.67 78.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.693 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.27 80.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.046 0.451 . . . . 0.0 110.765 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.32 80.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.38 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.55 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.94 -42.05 99.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.86 0.362 . . . . 0.0 110.6 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.69 99.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.9 mmm -66.25 -40.33 90.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.45 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.554 ' HE1' HG23 ' A' ' 92' ' ' THR . 91.3 mtp -63.15 -41.21 99.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.597 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.52 -43.82 97.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.049 0.452 . . . . 0.0 110.597 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -64.03 -40.85 97.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.266 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.2 p -62.0 -46.43 89.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.27 -42.7 95.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.305 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.6 mtp -61.36 -42.22 98.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.229 0.538 . . . . 0.0 110.533 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.42 90.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.202 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.453 HD21 ' CB ' ' A' ' 18' ' ' ALA . 94.3 mt -65.5 -40.12 92.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 49' ' ' ASN . 50.6 t-20 -60.99 -42.49 98.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.34 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.89 -40.3 94.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.193 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.14 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.431 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -60.22 -40.0 88.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 53' ' ' LEU . 40.1 mt -60.48 -44.28 96.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.371 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.5 t -66.48 -42.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 109.976 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.473 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 67.5 tp60 -60.82 -44.55 96.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 m -56.11 -43.01 77.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.054 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -61.13 -39.93 91.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.485 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.41 HD11 HG11 ' A' ' 7' ' ' VAL . 97.7 mt -68.72 -39.09 80.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.713 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -67.95 -39.66 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.889 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 -179.503 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.462 0.149 0 CA-C-O 120.886 0.374 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 75' ' ' VAL . 95.3 p -127.74 159.25 35.36 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.34 -43.04 88.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.644 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.638 HG13 HG21 ' A' ' 8' ' ' VAL . 47.7 t -63.41 -48.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.841 0.353 . . . . 0.0 110.531 -179.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 74' ' ' LEU . 96.2 mt -63.3 -40.73 98.15 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.032 0.444 . . . . 0.0 110.896 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 71' ' ' SER . 55.0 t -59.98 -46.95 93.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.169 -179.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -58.44 -46.34 86.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.837 0.351 . . . . 0.0 110.345 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.473 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.79 -41.95 95.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.606 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.17 -41.53 99.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.16 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 83' ' ' THR . 46.7 tp -57.23 -46.65 82.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.384 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -66.92 -46.94 73.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.693 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.35 -46.12 91.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.841 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.43 -44.17 97.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.169 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.3 p -63.25 -45.9 89.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.114 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -63.1 -49.8 73.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.462 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.7 tpp -57.14 -48.52 78.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.503 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.1 -44.13 97.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.015 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.75 82.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.861 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -58.58 -45.4 89.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.188 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -60.83 -44.69 96.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.069 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.98 -42.14 97.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.19 0.519 . . . . 0.0 109.908 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.661 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 78.4 mt -60.89 -42.33 92.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.554 HG23 ' HE1' ' A' ' 41' ' ' MET . 72.7 m -57.32 -46.04 83.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.058 0.456 . . . . 0.0 109.882 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.497 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.2 mt-10 -63.79 -43.21 97.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 0.0 109.629 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 75.5 mt -59.85 -43.82 94.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 90.9 mt -61.21 -42.96 95.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.523 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.537 ' CD ' ' NZ ' ' B' ' 30' ' ' LYS . 81.5 tt0 -60.86 -39.77 90.41 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 97' ' ' LEU . 36.5 mt -62.22 -41.66 98.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.893 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 69.6 m80 -59.79 -40.1 87.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -61.74 -39.57 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.25 -39.36 93.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.217 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.363 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.427 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.2 mt . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.512 0.196 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' B' ' 6' ' ' GLU . 15.0 pt-20 -64.86 -44.08 90.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.967 0.413 . . . . 0.0 110.381 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.513 ' N ' ' CG ' ' B' ' 5' ' ' GLU . 97.3 mt-10 -66.45 -35.02 79.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.267 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.22 -43.35 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.352 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.621 HG21 HG13 ' B' ' 73' ' ' VAL . 82.1 t -60.76 -43.69 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.845 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.8 mtp -59.2 -42.18 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.23 -41.41 96.83 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 11' ' ' LEU . 37.6 mt -63.03 -43.27 99.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.336 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.14 -44.29 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.775 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.3 -44.13 98.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.976 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -61.85 -46.42 89.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.859 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 70.3 m -59.98 -44.68 94.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.117 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.45 99.68 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.36 -43.16 98.46 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.448 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.47 -49.63 75.66 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.868 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.16 -46.42 89.74 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -54.79 -44.25 73.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.44 -42.66 98.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.747 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.659 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -58.76 -50.21 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.44 -41.52 89.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.695 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.17 93.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.748 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.4 -42.79 87.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.707 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.41 -45.26 95.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.32 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.25 -42.07 72.98 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.98 -41.39 96.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.843 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -42.74 94.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.692 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.537 ' NZ ' ' CD ' ' A' ' 96' ' ' GLU . 67.7 mttm -61.01 -29.62 69.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.037 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -80.86 -3.98 53.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.386 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.15 14.38 74.78 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.31 80.52 2.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.787 0.327 . . . . 0.0 110.422 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -64.97 -34.54 78.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.599 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.3 80.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.084 0.469 . . . . 0.0 110.777 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.36 -35.49 81.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.388 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -47.26 84.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.55 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.61 -42.29 99.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.85 0.357 . . . . 0.0 110.536 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.75 99.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 93.0 mmm -66.15 -40.47 90.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.493 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.573 ' HE1' HG23 ' B' ' 92' ' ' THR . 91.6 mtp -62.95 -41.47 99.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.602 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.17 -44.23 97.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.48 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.323 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.0 p -61.79 -46.46 89.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.503 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.4 ' HB2' ' NH2' ' B' ' 88' ' ' ARG . 61.9 ttp180 -60.31 -42.63 95.95 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.262 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.41 -42.54 98.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.253 0.549 . . . . 0.0 110.654 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.45 92.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.107 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.448 HD21 ' CB ' ' B' ' 18' ' ' ALA . 93.0 mt -65.57 -40.31 92.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.721 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 50.3 t-20 -60.76 -42.82 98.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.31 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.71 -40.12 94.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.221 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.82 75.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.466 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.74 -39.92 90.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.287 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' B' ' 53' ' ' LEU . 40.7 mt -60.42 -44.29 95.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.333 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.36 -42.92 91.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.034 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.477 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 67.5 tp60 -60.55 -44.34 96.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.9 m -56.41 -43.27 79.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.972 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.69 -40.39 92.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.915 0.388 . . . . 0.0 110.514 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 58' ' ' LEU . 97.2 mt -68.26 -39.33 82.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.652 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -67.85 -39.8 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.735 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.361 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.54 ' O ' HG23 ' B' ' 75' ' ' VAL . 90.4 p -127.14 161.22 28.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 15.9 mt -60.44 -42.96 97.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.578 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.621 HG13 HG21 ' B' ' 8' ' ' VAL . 46.2 t -62.61 -47.89 90.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.636 -177.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 98.6 mt -63.85 -40.15 95.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 71' ' ' SER . 55.6 t -60.23 -47.15 93.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.326 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.54 -46.29 87.13 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.301 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.477 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -64.57 -42.0 95.91 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.879 0.371 . . . . 0.0 110.488 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.15 -41.53 99.28 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.219 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.454 ' O ' HG23 ' B' ' 83' ' ' THR . 48.4 tp -57.27 -46.13 83.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.383 -179.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -67.27 -47.06 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.67 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.51 -45.71 93.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.867 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.44 -44.1 97.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.252 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.454 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.9 p -63.62 -45.92 88.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.134 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -62.88 -49.83 73.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.529 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 8.2 tpp -57.2 -48.54 78.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.463 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.22 -44.09 97.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 0.0 110.132 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.51 83.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.916 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.4 ' NH2' ' HB2' ' B' ' 45' ' ' ARG . 68.8 ttt-85 -59.0 -45.53 90.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.253 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.154 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.04 -42.25 97.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.155 0.502 . . . . 0.0 110.072 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.659 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 76.3 mt -60.88 -42.4 92.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.222 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.573 HG23 ' HE1' ' B' ' 41' ' ' MET . 70.4 m -57.32 -46.34 83.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.075 0.464 . . . . 0.0 109.922 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.485 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -63.26 -43.3 98.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.532 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.575 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.9 mt -59.82 -43.69 94.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 90.1 mt -61.56 -42.92 95.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.545 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 96' ' ' GLU . . . . . 0.531 ' CD ' ' NZ ' ' C' ' 30' ' ' LYS . 82.0 tt0 -60.6 -40.02 90.25 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.9 mt -62.12 -41.73 98.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.875 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 69.6 m80 -59.58 -40.2 86.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.806 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.57 -39.7 92.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.111 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.43 -39.43 93.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.109 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.369 179.811 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.43 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.3 mt . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.609 0.242 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' C' ' 6' ' ' GLU . 14.9 pt-20 -64.95 -43.76 91.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 0.0 110.438 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 6' ' ' GLU . . . . . 0.513 ' N ' ' CG ' ' C' ' 5' ' ' GLU . 97.7 mt-10 -66.96 -34.72 78.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.27 -43.23 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.372 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.59 HG21 HG13 ' C' ' 73' ' ' VAL . 81.9 t -60.75 -44.09 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.967 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.6 mtp -58.89 -42.33 89.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.03 -41.54 97.17 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.91 -43.04 99.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.345 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.42 -44.32 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.65 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.27 -44.18 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.018 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -61.82 -46.43 89.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.816 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 71.2 m -59.95 -44.86 94.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.14 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.78 -42.46 99.68 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.16 -43.34 98.55 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.453 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -57.26 -50.06 74.09 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -59.85 -46.64 88.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -54.62 -44.38 73.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.14 -42.58 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.734 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.674 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.02 -49.8 76.52 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.92 -41.4 91.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.53 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.6 93.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.43 90.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.523 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.55 -44.82 96.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.408 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.85 -42.04 75.21 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.01 -41.35 96.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.93 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.25 92.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.842 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' LYS . . . . . 0.531 ' NZ ' ' CD ' ' B' ' 96' ' ' GLU . 67.6 mttm -61.72 -29.55 70.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.032 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.47 -4.42 53.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.444 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 14.66 73.49 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.53 80.06 2.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.761 0.315 . . . . 0.0 110.309 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -64.56 -34.46 78.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.53 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.4 79.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.108 0.48 . . . . 0.0 110.725 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.57 81.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.382 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.38 -47.41 84.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.505 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.51 -42.61 99.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.575 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.6 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 92.8 mmm -66.33 -40.69 90.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.606 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.583 ' HE1' HG23 ' C' ' 92' ' ' THR . 91.7 mtp -62.73 -41.64 99.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.678 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.18 -44.24 97.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.49 -41.23 98.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.349 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.2 p -61.8 -46.22 90.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.563 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.45 -42.66 96.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.38 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -61.36 -42.6 98.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.33 0.586 . . . . 0.0 110.497 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.66 92.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.34 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.453 HD21 ' CB ' ' C' ' 18' ' ' ALA . 94.1 mt -65.3 -40.57 93.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.721 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 49' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 49.3 t-20 -60.97 -42.32 98.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.283 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.76 -40.53 95.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.043 0.449 . . . . 0.0 110.065 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.02 -45.95 75.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.434 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.403 ' NE2' ' HA ' ' D' ' 312' ' ' ASN . 85.0 t60 -60.58 -39.77 89.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.284 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.78 -44.33 96.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.262 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.5 t -66.2 -42.63 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.97 0.415 . . . . 0.0 109.945 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.455 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 67.3 tp60 -60.8 -44.62 96.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.271 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.848 HG21 HG22 ' D' ' 356' ' ' THR . 15.5 m -56.18 -43.19 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.103 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -60.71 -40.13 91.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.905 0.384 . . . . 0.0 110.526 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.44 -39.4 81.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.411 ' CG1' HD22 ' C' ' 74' ' ' LEU . 97.1 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.833 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.547 ' O ' HG23 ' C' ' 75' ' ' VAL . 89.2 p . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 121.018 0.437 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.63 -42.16 99.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.722 -177.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.59 HG13 HG21 ' C' ' 8' ' ' VAL . 46.4 t -63.73 -48.27 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 130.109 3.364 . . . . 0.0 110.68 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.411 HD22 ' CG1' ' C' ' 59' ' ' ILE . 98.1 mt -65.9 -39.78 90.91 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.015 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.547 HG23 ' O ' ' C' ' 71' ' ' SER . 55.3 t -60.71 -47.81 91.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.265 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -58.11 -46.49 85.48 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.455 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -64.62 -42.01 95.8 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.92 0.391 . . . . 0.0 110.413 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.06 -41.5 99.47 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.243 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.449 ' O ' HG23 ' C' ' 83' ' ' THR . 48.2 tp -57.35 -46.3 83.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.464 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -67.2 -46.55 73.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.776 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.08 -45.54 93.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.831 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -61.79 -43.45 98.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.305 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.449 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.5 p -64.24 -45.66 87.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.197 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -62.91 -49.7 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.7 tpp -57.38 -48.27 79.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.511 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.5 -43.93 97.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.145 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.35 -48.01 81.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.921 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -58.53 -45.47 88.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.293 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -60.51 -44.83 95.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.956 0.408 . . . . 0.0 110.178 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.85 -42.29 97.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.159 0.504 . . . . 0.0 110.033 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.674 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 78.0 mt -60.73 -42.52 92.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.346 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.583 HG23 ' HE1' ' C' ' 41' ' ' MET . 70.1 m -57.28 -46.13 83.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.014 0.435 . . . . 0.0 109.947 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.63 -43.39 96.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.463 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.577 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 76.5 mt -59.47 -43.86 93.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 95' ' ' ILE . . . . . 0.457 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 89.9 mt -61.33 -43.03 95.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.624 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.52 -39.74 88.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.773 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' C' ' 97' ' ' LEU . 35.7 mt -62.31 -41.66 98.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.918 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 70.6 m80 -59.78 -40.28 87.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.725 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -61.4 -39.7 91.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.106 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.28 -39.28 93.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.223 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.9 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.365 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.805 0.812 . . . . 0.0 108.985 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.81 143.09 36.68 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.29 38.51 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.036 -1.04 . . . . 0.0 109.567 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.15 28.45 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.38 18.88 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.054 -1.029 . . . . 0.0 108.383 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.84 144.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.59 37.02 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.102 0.953 . . . . 0.0 110.13 177.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.25 24.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.77 -4.34 19.46 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.805 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.81 85.81 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 119.668 -1.895 . . . . 0.0 110.558 178.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.44 -47.77 12.62 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 124.75 3.633 . . . . 0.0 114.101 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.528 ' ND2' ' CD2' ' C' ' 52' ' ' HIS . 99.6 m-20 -102.14 27.58 6.54 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 116.024 -2.27 . . . . 0.0 108.766 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.79 -143.85 46.62 Favored Glycine 0 N--CA 1.496 2.689 0 C-N-CA 117.682 -2.199 . . . . 0.0 109.559 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' D' ' 314' ' ' LEU . 13.3 tp -88.98 75.88 7.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.923 -1.34 . . . . 0.0 109.501 -177.037 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -69.97 175.87 4.13 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 117.921 -1.511 . . . . 0.0 112.19 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 55.0 p -38.96 -67.04 0.23 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 0.0 OUTLIER -56.36 -52.24 74.7 Favored Pre-proline 0 N--CA 1.492 1.656 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.546 -177.369 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.7 Cg_endo -64.33 -32.14 61.77 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 120.668 0.912 . . . . 0.0 111.467 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.474 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.0 -38.84 86.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.255 -0.903 . . . . 0.0 109.448 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.96 -39.73 72.4 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -63.89 -39.46 94.24 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.981 -1.488 . . . . 0.0 109.479 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.2 t80 -62.61 -45.32 93.44 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 122.59 1.186 . . . . 0.0 108.711 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.474 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.6 t -62.75 -42.22 95.39 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.667 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.78 -40.32 96.4 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.277 -0.889 . . . . 0.0 109.833 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.535 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.69 80.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.423 -0.798 . . . . 0.0 109.591 177.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.93 91.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.599 -1.313 . . . . 0.0 109.477 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.41 -16.09 43.21 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 121.288 -0.883 . . . . 0.0 113.351 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.01 -10.54 86.21 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 119.884 -1.76 . . . . 0.0 109.272 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.403 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.29 32.89 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.26 -1.729 . . . . 0.0 110.088 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.62 -29.99 59.37 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.227 -0.921 . . . . 0.0 112.346 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.57 10.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 119.768 -1.832 . . . . 0.0 112.804 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.22 35.38 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 102.865 -3.013 . . . . 0.0 102.865 171.219 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.75 136.55 60.47 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.405 0 CA-C-O 122.195 0.998 . . . . 0.0 109.303 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.9 143.28 50.93 Favored 'General case' 0 C--N 1.286 -2.174 0 CA-C-O 123.129 1.442 . . . . 0.0 109.957 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.4 t -108.17 129.97 61.51 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.693 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.5 m -127.48 119.59 26.43 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.881 -1.137 . . . . 0.0 108.887 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.62 39.31 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.861 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.7 38.92 24.11 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.87 -1.144 . . . . 0.0 112.761 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.74 11.03 83.44 Favored Glycine 0 N--CA 1.501 3.02 0 O-C-N 119.951 -1.718 . . . . 0.0 112.491 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.89 136.2 54.59 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 105.283 -2.118 . . . . 0.0 105.283 177.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.74 158.47 33.2 Favored 'General case' 0 C--N 1.275 -2.645 0 CA-C-O 123.847 1.784 . . . . 0.0 112.449 -176.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.62 151.4 31.47 Favored 'General case' 0 C--N 1.279 -2.499 0 CA-C-N 112.474 -2.148 . . . . 0.0 108.63 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.56 136.0 48.95 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 173.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.04 -6.74 47.57 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.73 -1.231 . . . . 0.0 110.723 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.5 12.99 31.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.678 -1.264 . . . . 0.0 109.396 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 38.4 t -133.12 104.19 6.39 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.203 1.001 . . . . 0.0 110.046 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 347' ' ' LEU . . . . . 0.409 HD22 ' CE ' ' A' ' 9' ' ' MET . 63.4 tp -57.33 -37.81 73.11 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.926 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -58.88 -51.39 70.24 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.581 -1.325 . . . . 0.0 113.075 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.38 70.44 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.515 -1.991 . . . . 0.0 109.238 -178.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.83 -33.66 75.71 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.966 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -67.72 -10.45 52.61 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 121.683 -0.636 . . . . 0.0 109.954 -177.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 37.8 p -89.82 -7.63 53.91 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 118.069 -1.452 . . . . 0.0 110.936 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.42 159.3 15.31 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.21 -0.931 . . . . 0.0 110.212 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.78 2.96 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 106.969 -2.452 . . . . 0.0 106.969 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 90.3 mt -119.56 47.45 1.71 Allowed 'General case' 0 C--N 1.309 -1.181 0 O-C-N 120.749 -1.442 . . . . 0.0 107.383 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.429 HG22 HG21 ' C' ' 56' ' ' THR . 58.3 p -81.45 172.51 13.43 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.791 -1.163 . . . . 0.0 109.229 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -60.69 140.87 57.34 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 119.339 -0.944 . . . . 0.0 109.839 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.18 78.92 Favored Glycine 0 N--CA 1.501 3.013 0 C-N-CA 119.976 -1.106 . . . . 0.0 111.316 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.41 135.91 34.08 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 120.918 -1.342 . . . . 0.0 110.656 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.5 123.73 48.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.493 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.16 160.13 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.322 0 C-N-CA 117.403 -1.719 . . . . 0.0 110.634 178.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.99 128.36 54.88 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 120.501 -1.374 . . . . 0.0 107.598 175.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.82 121.41 60.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 176.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.27 50.71 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -179.524 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.38 47.15 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.759 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.79 6.43 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 118.55 -1.26 . . . . 0.0 108.009 178.183 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.27 40.15 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 117.989 -2.053 . . . . 0.0 110.347 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.46 -40.48 82.78 Favored 'General case' 0 C--N 1.277 -2.569 0 CA-C-N 114.408 -0.896 . . . . 0.0 112.165 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.06 36.7 3.58 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 115.918 -2.313 . . . . 0.0 108.538 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.39 -33.52 65.84 Favored 'General case' 0 N--CA 1.523 3.18 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 -174.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.461 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.64 27.42 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 119.586 -1.947 . . . . 0.0 110.958 -176.548 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.771 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.71 97.8 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.5 77.6 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.48 -1.688 . . . . 0.0 109.995 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.3 t -66.77 -42.26 89.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.255 1.026 . . . . 0.0 109.268 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.88 -47.89 76.57 Favored 'General case' 0 C--N 1.287 -2.123 0 CA-C-O 122.081 0.943 . . . . 0.0 108.757 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.771 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.74 -38.37 76.8 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.748 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.8 mt -75.55 -28.66 59.1 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.421 -1.425 . . . . 0.0 110.93 -174.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.51 71.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.85 -49.3 62.89 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.535 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.18 -45.24 83.86 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.536 177.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.493 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.36 -37.36 85.36 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.845 -1.159 . . . . 0.0 111.549 -177.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.86 61.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.112 -0.993 . . . . 0.0 110.248 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.91 -32.29 45.65 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.491 -0.756 . . . . 0.0 111.359 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.06 125.52 12.36 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 124.376 2.036 . . . . 0.0 112.843 178.648 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.805 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.0 mm-40 . . . . . 0 C--N 1.277 -2.554 0 CA-C-N 111.163 -2.744 . . . . 0.0 110.088 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.633 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.2 mt . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -63.29 -48.63 77.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.01 0.433 . . . . 0.0 110.31 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.95 -37.33 84.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.243 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.93 -43.32 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.655 HG21 HG13 ' A' ' 73' ' ' VAL . 78.3 t -61.01 -44.87 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.947 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.409 ' CE ' HD22 ' D' ' 347' ' ' LEU . 90.8 mtp -58.74 -41.98 87.73 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.67 -41.54 97.68 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 mt -63.18 -43.36 98.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.187 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.28 -43.98 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.804 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.552 HD11 ' HB1' ' D' ' 320' ' ' ALA . 89.2 mt -63.72 -44.22 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.947 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -61.74 -45.91 91.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.84 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.3 m -60.77 -44.25 97.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.997 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.5 -42.46 97.5 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -63.63 -45.67 89.18 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.56 80.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.837 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -59.99 -45.94 91.07 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 m -57.1 -43.97 82.78 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.73 -42.18 99.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.693 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.572 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -56.64 -48.66 77.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -59.48 -39.44 83.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.63 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.95 95.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.768 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.26 91.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.595 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.459 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -56.12 -41.51 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.1 -41.03 97.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.74 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.39 97.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.71 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.48 -29.1 69.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.02 -3.75 49.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.483 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.79 14.58 67.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.7 79.37 2.23 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.785 0.326 . . . . 0.0 110.259 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -65.2 -34.26 77.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.663 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.5 78.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.055 0.455 . . . . 0.0 110.745 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -35.4 80.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.52 84.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.556 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.51 -41.62 98.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.634 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.25 93.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.793 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.3 mmm -65.24 -40.74 94.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.516 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.17 -41.63 99.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.628 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -63.0 -44.8 95.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.022 0.439 . . . . 0.0 110.546 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -63.68 -41.48 98.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.246 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -61.5 -45.18 95.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.589 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.415 ' HA ' HH11 ' A' ' 88' ' ' ARG . 62.8 ttm-85 -60.85 -43.1 98.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.257 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.9 -43.93 97.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.145 0.498 . . . . 0.0 110.526 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.71 98.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.17 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 84' ' ' SER . 12.0 mt -65.6 -39.63 91.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.667 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -59.99 -43.84 94.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.245 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.17 -38.49 90.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.236 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.4 80.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.48 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -63.57 -37.5 87.56 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.441 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.97 -41.94 97.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.376 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.07 -43.37 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.045 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.57 ' OE1' HD12 ' A' ' 81' ' ' LEU . 28.3 tt0 -60.45 -42.06 95.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.29 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.0 m -56.84 -44.21 81.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.041 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.98 -39.6 95.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.917 0.389 . . . . 0.0 110.53 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.445 HD22 ' CD2' ' A' ' 4' ' ' LEU . 96.3 mt -66.09 -30.61 71.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.693 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.17 -34.54 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.861 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 -179.607 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.577 HG21 ' OE1' ' B' ' 76' ' ' GLU . 54.0 t . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.972 0.415 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 75' ' ' VAL . 84.0 p -129.65 162.56 28.03 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.25 -44.99 84.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.655 HG13 HG21 ' A' ' 8' ' ' VAL . 56.9 t -63.6 -47.41 91.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.514 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 74' ' ' LEU . 91.8 mt -62.95 -40.33 97.33 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.043 0.449 . . . . 0.0 110.911 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 71' ' ' SER . 55.5 t -58.91 -47.35 89.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.145 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -58.93 -44.61 91.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.804 0.335 . . . . 0.0 110.364 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.08 89.89 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.668 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.24 -41.52 99.09 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.067 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 83' ' ' THR . 59.3 tp -57.79 -46.53 84.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.421 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.4 ' O ' ' OG1' ' A' ' 83' ' ' THR . 68.6 m80 -67.74 -48.46 66.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.57 HD12 ' OE1' ' A' ' 55' ' ' GLN . 14.7 mt -61.83 -44.97 95.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.808 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -60.6 -44.64 96.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.185 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.3 p -61.8 -43.99 97.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.07 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.422 ' HB2' HD21 ' A' ' 48' ' ' LEU . 78.1 p -62.81 -48.52 78.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.515 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.454 ' CE ' HH12 ' B' ' 19' ' ' ARG . 54.0 ttp -58.05 -47.77 82.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.523 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.22 -45.0 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.032 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.17 -45.36 91.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.806 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.415 HH11 ' HA ' ' A' ' 45' ' ' ARG . 53.8 ttp180 -58.31 -47.14 84.65 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.075 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 99.1 mt-10 -61.52 -43.53 98.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.024 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.95 -43.76 91.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.172 0.511 . . . . 0.0 109.852 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.572 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 75.9 mt -60.96 -42.54 93.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.272 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -57.64 -45.52 85.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.05 0.452 . . . . 0.0 109.902 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.535 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.2 mt-10 -63.69 -42.75 97.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.563 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.508 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 77.6 mt -59.95 -43.7 94.84 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.84 -42.95 94.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.505 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.56 -40.21 90.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.134 0.492 . . . . 0.0 109.763 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.45 -41.39 98.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.901 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 63.3 m80 -58.61 -41.0 84.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.9 -39.06 84.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.19 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.7 -35.22 80.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.278 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 179.442 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 8' ' ' VAL . 98.1 mt . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -63.42 -48.72 76.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.902 0.382 . . . . 0.0 110.285 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.61 -37.35 84.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.159 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.16 -43.12 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.324 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.627 HG21 HG13 ' B' ' 73' ' ' VAL . 78.3 t -61.26 -44.71 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.868 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.08 -41.88 89.07 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.41 -41.8 97.91 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.2 mt -63.08 -43.34 98.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.746 0.308 . . . . 0.0 110.357 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.31 -44.15 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.719 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.63 -44.01 98.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.892 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.91 -46.09 90.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.822 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -60.63 -44.28 96.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.055 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.36 -42.28 97.77 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.87 -45.78 87.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.96 -48.75 79.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.9 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 69.9 ttt180 -60.02 -45.95 91.11 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.8 m -56.97 -44.04 82.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.51 -42.76 99.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.783 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.578 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -56.12 -48.64 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.485 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 21.9 m-85 -59.64 -39.36 84.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.693 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.16 96.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.719 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.65 -43.45 89.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.635 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.62 -44.71 96.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.34 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -55.97 -41.62 75.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.86 -41.3 97.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.836 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.75 96.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.712 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.37 -29.05 69.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.086 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.14 -3.73 50.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.39 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.71 14.68 67.26 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -99.66 79.06 2.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.781 0.324 . . . . 0.0 110.299 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -65.22 -33.91 77.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.57 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.79 76.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.052 0.454 . . . . 0.0 110.808 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.19 -35.21 80.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.422 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.54 84.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.507 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 110.575 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.48 92.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.666 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 97.4 mmm -65.3 -40.55 93.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.12 -42.15 99.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.553 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -62.63 -44.96 94.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.45 -41.72 98.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.27 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -61.37 -45.45 94.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -60.53 -43.1 97.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 110.33 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.82 -43.91 97.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.313 0.578 . . . . 0.0 110.643 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.58 98.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.236 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.413 HD21 ' HB2' ' B' ' 84' ' ' SER . 11.8 mt -65.7 -39.46 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.695 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' B' ' 49' ' ' ASN . 51.4 t-20 -60.02 -44.07 94.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.312 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.9 -38.83 92.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.153 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.52 82.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.455 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -63.61 -37.73 88.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.326 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 40.4 mt -60.76 -42.06 96.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.0 -43.45 97.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.101 0.477 . . . . 0.0 110.035 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.57 ' OE1' HD12 ' B' ' 81' ' ' LEU . 28.0 tt0 -60.52 -41.94 95.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.267 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.4 m -56.98 -44.25 82.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.931 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.94 -39.69 95.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.859 0.361 . . . . 0.0 110.546 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.455 HD22 ' CD2' ' B' ' 4' ' ' LEU . 94.9 mt -66.0 -30.71 71.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.643 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -82.96 -34.75 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.786 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.523 -179.483 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.546 HG21 ' OE1' ' C' ' 76' ' ' GLU . 68.1 t . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 120.811 0.338 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.603 ' O ' HG23 ' B' ' 75' ' ' VAL . 89.8 p -129.03 164.43 23.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.568 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.97 -44.42 94.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.524 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.627 HG13 HG21 ' B' ' 8' ' ' VAL . 54.5 t -62.89 -46.75 95.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.655 -178.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.39 -40.01 96.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.603 HG23 ' O ' ' B' ' 71' ' ' SER . 55.7 t -58.97 -47.04 91.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.308 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.577 ' OE1' HG21 ' A' ' 70' ' ' VAL . 76.9 tt0 -58.97 -45.13 91.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.16 91.06 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.903 0.382 . . . . 0.0 110.421 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -63.09 -41.64 99.45 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.204 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.486 ' O ' HG23 ' B' ' 83' ' ' THR . 58.7 tp -57.84 -46.73 84.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.414 ' O ' ' OG1' ' B' ' 83' ' ' THR . 69.3 m80 -67.38 -48.58 67.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.743 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.57 HD12 ' OE1' ' B' ' 55' ' ' GLN . 14.7 mt -61.88 -44.97 95.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -60.54 -44.63 95.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.238 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.486 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.6 p -61.69 -44.12 97.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' SER . . . . . 0.413 ' HB2' HD21 ' B' ' 48' ' ' LEU . 78.2 p -62.87 -48.56 78.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' MET . . . . . 0.444 ' CE ' HH12 ' C' ' 19' ' ' ARG . 53.6 ttp -57.89 -47.79 81.75 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.525 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.34 -44.54 97.01 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.096 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.62 90.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.839 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -58.29 -46.91 85.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.228 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 99.1 mt-10 -61.74 -43.74 98.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.166 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.76 -43.58 92.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.103 0.477 . . . . 0.0 109.982 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.578 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 75.5 mt -61.02 -42.6 93.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.161 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.44 -45.64 84.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.068 0.461 . . . . 0.0 109.871 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' GLU . . . . . 0.52 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.6 mt-10 -63.92 -42.59 97.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.472 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.535 HD13 ' OE1' ' A' ' 93' ' ' GLU . 77.9 mt -59.85 -43.82 94.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.76 -43.17 94.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.502 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.31 -40.2 89.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.78 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.39 -41.65 98.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.833 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 63.6 m80 -58.4 -40.81 83.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.762 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.19 -38.76 84.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.043 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.22 -35.0 79.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.198 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.442 179.473 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.62 ' O ' HG23 ' C' ' 8' ' ' VAL . 98.0 mt . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.675 0.274 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -63.3 -48.63 77.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 110.456 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.99 -36.76 82.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.331 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.44 -43.11 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.354 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.62 HG23 ' O ' ' C' ' 4' ' ' LEU . 78.6 t -61.31 -44.69 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.006 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.6 mtp -59.2 -42.15 90.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.12 -41.91 98.25 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' C' ' 11' ' ' LEU . 30.6 mt -62.75 -43.69 98.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.364 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.15 -44.06 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.7 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.52 -44.19 98.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.006 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.83 -45.87 91.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.856 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 66.4 m -60.67 -44.3 96.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.161 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.48 -42.25 97.62 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -63.7 -45.62 89.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.81 79.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 70.5 ttt180 -60.06 -45.55 92.47 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 64.9 m -57.46 -44.08 84.51 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.37 -42.39 99.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.675 178.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.577 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -56.55 -48.68 76.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.481 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.1 m-85 -59.52 -39.26 83.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.555 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.75 96.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.721 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.11 92.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.578 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.8 -45.03 95.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.364 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -55.7 -41.94 74.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.939 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.69 96.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.824 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.49 -29.24 69.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.048 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -79.61 -4.17 50.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.29 14.32 66.59 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.56 79.21 2.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.78 0.324 . . . . 0.0 110.283 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.31 -33.97 77.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.483 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.44 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 110.697 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.26 80.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.373 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.04 86.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.455 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.98 -41.9 99.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.521 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.28 94.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.75 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 97.5 mmm -65.2 -40.98 94.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 3.4 mmt -63.06 -41.84 99.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.597 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -63.05 -44.78 94.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.399 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -63.45 -42.01 98.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -61.01 -45.58 94.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 45' ' ' ARG . . . . . 0.4 ' HA ' HH11 ' C' ' 88' ' ' ARG . 63.1 ttm-85 -60.45 -43.08 97.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.872 0.367 . . . . 0.0 110.34 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.72 -44.26 96.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.366 0.603 . . . . 0.0 110.494 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.21 -43.79 98.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.334 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' C' ' 84' ' ' SER . 11.8 mt -65.61 -39.85 91.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.77 -43.84 94.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.387 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.15 -39.07 92.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.03 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.77 82.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.465 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.528 ' CD2' ' ND2' ' D' ' 312' ' ' ASN . 29.2 t-80 -63.48 -37.64 88.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.29 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' C' ' 53' ' ' LEU . 39.5 mt -61.03 -41.86 97.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.336 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -63.88 -43.44 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.044 0.449 . . . . 0.0 109.957 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.575 ' OE1' HD12 ' C' ' 81' ' ' LEU . 28.1 tt0 -60.62 -42.16 96.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.264 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.429 HG21 HG22 ' D' ' 356' ' ' THR . 76.5 m -56.52 -44.4 80.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.129 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -63.1 -39.32 94.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.501 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' C' ' 4' ' ' LEU . 95.4 mt -65.88 -30.97 71.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.401 HG13 HD22 ' C' ' 74' ' ' LEU . 96.4 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.838 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.612 ' O ' HG23 ' C' ' 75' ' ' VAL . 89.7 p . . . . . 0 C--O 1.227 -0.127 0 CA-C-O 121.05 0.453 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 72' ' ' LEU . 74.6 mt -61.6 -43.61 98.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.689 -177.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.619 HG13 HG21 ' C' ' 8' ' ' VAL . 54.4 t -64.14 -47.29 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 130.061 3.344 . . . . 0.0 110.636 -178.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.401 HD22 HG13 ' C' ' 59' ' ' ILE . 97.1 mt -65.28 -39.73 92.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 177.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.612 HG23 ' O ' ' C' ' 71' ' ' SER . 54.7 t -59.23 -47.45 90.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.186 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 76' ' ' GLU . . . . . 0.546 ' OE1' HG21 ' B' ' 70' ' ' VAL . 76.3 tt0 -59.2 -45.1 91.96 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.89 91.85 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.814 0.34 . . . . 0.0 110.393 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.47 -41.27 98.61 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.27 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.485 ' O ' HG23 ' C' ' 83' ' ' THR . 58.1 tp -58.12 -46.73 85.1 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.547 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -67.57 -48.17 67.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.738 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 81' ' ' LEU . . . . . 0.575 HD12 ' OE1' ' C' ' 55' ' ' GLN . 14.7 mt -62.12 -45.01 95.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.848 -178.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -60.56 -44.53 96.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.361 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.485 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.8 p -61.83 -43.9 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.15 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 84' ' ' SER . . . . . 0.416 ' HB2' HD21 ' C' ' 48' ' ' LEU . 77.7 p -63.11 -48.21 79.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.552 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 54.6 ttp -58.1 -48.14 81.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.705 0.288 . . . . 0.0 110.479 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.98 -44.89 96.72 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.131 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.1 88.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.935 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.4 HH11 ' HA ' ' C' ' 45' ' ' ARG . 53.8 ttp180 -57.86 -47.27 83.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.262 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.21 -43.61 98.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.903 0.383 . . . . 0.0 110.179 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.12 -43.63 91.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 0.0 110.024 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.577 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 75.6 mt -60.86 -42.61 93.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.347 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.41 -45.67 84.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.092 0.472 . . . . 0.0 109.982 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.86 -42.81 97.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.497 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.52 HD13 ' OE1' ' B' ' 93' ' ' GLU . 78.6 mt -59.59 -43.83 93.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.73 -43.12 94.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.561 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -39.92 89.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.709 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 97' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' C' ' 97' ' ' LEU . 86.1 mt -62.49 -41.57 98.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.857 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.475 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.1 m80 -58.5 -41.32 85.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -59.72 -38.89 82.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.86 -35.16 80.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.224 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 87.8 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.267 179.705 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.531 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.71 0 CA-C-O 121.873 0.844 . . . . 0.0 108.898 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.79 142.97 36.68 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.26 38.52 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.968 -1.083 . . . . 0.0 109.528 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.1 149.19 28.54 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.27 19.02 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.999 -1.063 . . . . 0.0 108.392 178.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.29 19.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 107.499 -1.296 . . . . 0.0 107.499 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.5 m -96.64 136.55 37.01 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.164 0.983 . . . . 0.0 110.192 177.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.94 114.31 24.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.86 -4.33 19.34 Favored 'General case' 0 C--N 1.265 -3.085 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.811 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.85 85.85 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 119.765 -1.834 . . . . 0.0 110.661 178.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.49 -47.67 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.725 3.617 . . . . 0.0 114.172 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -102.17 27.57 6.56 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 116.066 -2.254 . . . . 0.0 108.787 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 71.11 -93.73 0.52 Allowed Glycine 0 N--CA 1.496 2.655 0 C-N-CA 117.674 -2.203 . . . . 0.0 109.617 -175.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.537 ' O ' HD12 ' D' ' 314' ' ' LEU . 0.8 OUTLIER -169.99 59.14 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.904 -1.351 . . . . 0.0 109.524 179.82 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 315' ' ' HIS . . . . . 0.783 ' CE1' ' HG1' ' D' ' 316' ' ' THR . 3.1 p80 -52.69 -171.56 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 117.856 -1.538 . . . . 0.0 112.09 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.783 ' HG1' ' CE1' ' D' ' 315' ' ' HIS . 44.9 p -31.23 -65.95 0.12 Allowed 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -176.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.461 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -45.21 -65.79 0.59 Allowed Pre-proline 0 N--CA 1.492 1.674 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.581 -176.856 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.67 -32.18 57.94 Favored 'Trans proline' 0 N--CA 1.484 0.963 0 C-N-CA 121.259 1.306 . . . . 0.0 111.514 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.465 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.0 -38.88 86.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.196 -0.94 . . . . 0.0 109.471 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.8 72.56 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -64.0 -39.31 93.82 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.964 -1.494 . . . . 0.0 109.459 177.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.41 92.96 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.598 1.19 . . . . 0.0 108.698 -177.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.465 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.2 t -62.6 -42.2 95.04 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.281 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.694 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -63.89 -40.28 96.14 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 109.708 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.84 80.2 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.453 -0.779 . . . . 0.0 109.564 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.94 91.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.599 -1.313 . . . . 0.0 109.482 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.38 -16.25 44.51 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.53 86.11 Favored Glycine 0 N--CA 1.479 1.551 0 O-C-N 119.956 -1.715 . . . . 0.0 109.246 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.5 143.32 32.88 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.275 -1.721 . . . . 0.0 110.023 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.62 -30.06 59.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.254 -0.903 . . . . 0.0 112.315 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.57 10.08 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 119.723 -1.861 . . . . 0.0 112.826 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.3 35.43 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 102.798 -3.038 . . . . 0.0 102.798 171.268 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.74 136.56 60.44 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.448 0 CA-C-O 122.215 1.007 . . . . 0.0 109.287 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -124.95 143.12 51.04 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-O 123.092 1.425 . . . . 0.0 110.025 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.0 130.01 61.19 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.718 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.8 m -127.52 119.47 26.11 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.844 -1.16 . . . . 0.0 108.944 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.5 122.61 39.32 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.534 -0.729 . . . . 0.0 109.918 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.7 38.92 24.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.936 -1.103 . . . . 0.0 112.798 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.67 11.07 83.46 Favored Glycine 0 N--CA 1.501 3.006 0 O-C-N 119.913 -1.742 . . . . 0.0 112.57 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.9 m -124.75 158.55 33.02 Favored 'General case' 0 C--N 1.275 -2.651 0 CA-C-O 123.83 1.776 . . . . 0.0 112.388 -176.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.5 31.56 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.45 -2.159 . . . . 0.0 108.569 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.7 135.95 48.66 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.92 -6.81 47.7 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.724 -1.235 . . . . 0.0 110.72 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.52 12.93 31.71 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.627 -1.296 . . . . 0.0 109.393 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.0 t -133.04 104.12 6.37 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 122.178 0.99 . . . . 0.0 110.145 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.19 -37.96 72.93 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.982 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -58.83 -51.37 70.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.61 -1.306 . . . . 0.0 113.126 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.05 -32.46 70.58 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 119.498 -2.001 . . . . 0.0 109.193 -178.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.77 -33.7 75.7 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.939 -1.105 . . . . 0.0 109.965 -177.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -67.71 -10.49 52.96 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.646 -0.659 . . . . 0.0 109.87 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.5 p -89.69 -7.8 53.79 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 118.188 -1.405 . . . . 0.0 110.961 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.26 159.35 15.31 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.157 -0.964 . . . . 0.0 110.153 -178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.74 104.84 2.97 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 177.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 355' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' D' ' 361' ' ' VAL . 74.3 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.135 0 O-C-N 120.638 -1.507 . . . . 0.0 107.335 -178.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.596 HG22 HG21 ' C' ' 56' ' ' THR . 58.2 p -81.41 172.51 13.46 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.246 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.68 140.85 57.33 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.817 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.49 -3.18 78.72 Favored Glycine 0 N--CA 1.501 3.025 0 C-N-CA 120.043 -1.075 . . . . 0.0 111.344 177.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.46 136.0 34.02 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.888 -1.36 . . . . 0.0 110.594 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.61 123.72 49.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 176.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.18 160.11 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.338 0 C-N-CA 117.412 -1.715 . . . . 0.0 110.622 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.7 m -108.91 128.39 54.89 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.487 -1.383 . . . . 0.0 107.567 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.86 121.49 60.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 176.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.2 50.71 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.608 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.48 47.23 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.478 -1.289 . . . . 0.0 109.753 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.531 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.25 110.79 6.41 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 118.524 -1.271 . . . . 0.0 108.031 178.205 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.25 -170.33 40.16 Favored Glycine 0 C--N 1.296 -1.65 0 C-N-CA 117.963 -2.065 . . . . 0.0 110.319 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.29 -40.66 82.54 Favored 'General case' 0 C--N 1.276 -2.605 0 CA-C-N 114.327 -0.936 . . . . 0.0 112.239 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.08 36.84 3.53 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 115.894 -2.322 . . . . 0.0 108.625 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.36 -33.62 65.85 Favored 'General case' 0 N--CA 1.521 3.086 0 N-CA-C 116.82 2.155 . . . . 0.0 116.82 -174.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.451 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.61 27.76 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 119.621 -1.924 . . . . 0.0 110.984 -176.539 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.762 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.55 -40.68 97.62 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.43 77.86 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.452 -1.699 . . . . 0.0 110.058 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.7 t -66.81 -42.26 88.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-O 122.216 1.008 . . . . 0.0 109.314 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.91 -47.9 76.63 Favored 'General case' 0 C--N 1.286 -2.191 0 CA-C-O 122.059 0.933 . . . . 0.0 108.724 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.762 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.77 -38.32 76.68 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.707 -178.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.5 mt -75.61 -28.64 58.95 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.371 -1.456 . . . . 0.0 110.919 -174.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.5 71.41 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.42 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.82 -49.39 62.51 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.17 -45.18 83.89 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.552 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.39 -37.37 85.5 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.871 -1.143 . . . . 0.0 111.547 -177.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.84 61.66 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.122 -0.986 . . . . 0.0 110.227 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.88 -32.29 45.84 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.455 -0.778 . . . . 0.0 111.328 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.13 125.5 12.43 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 124.388 2.042 . . . . 0.0 112.853 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.811 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 32.0 tt0 . . . . . 0 C--N 1.278 -2.514 0 CA-C-N 111.094 -2.775 . . . . 0.0 110.151 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 8' ' ' VAL . 65.5 mt . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.73 -49.42 75.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.254 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.79 -36.22 82.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.274 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.73 -43.05 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.339 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 4' ' ' LEU . 71.7 t -61.05 -45.83 97.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.985 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.0 -42.22 89.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.02 -41.41 99.88 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 11' ' ' LEU . 31.6 mt -63.6 -43.21 97.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.901 0.382 . . . . 0.0 110.243 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.01 -44.65 99.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.755 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.08 -44.63 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.967 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -61.65 -45.73 92.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.743 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.5 m -59.92 -44.29 94.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.003 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.461 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.12 -42.64 99.45 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.77 -44.55 93.07 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.91 -49.28 77.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -61.02 -45.23 95.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.9 t -56.2 -44.5 79.53 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.48 -41.0 96.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.721 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.498 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.82 -47.68 81.95 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -59.51 -42.07 91.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.639 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.79 89.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.745 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.85 89.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.675 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.7 -44.79 96.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.491 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.21 -42.73 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.2 -41.27 92.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.818 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.25 93.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.7 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.21 -30.08 70.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.15 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.38 -3.86 51.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.415 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.36 13.07 79.51 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -95.49 81.24 3.53 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.248 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -64.92 -34.41 78.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.65 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.94 81.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.057 0.456 . . . . 0.0 110.735 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.58 80.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.348 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -48.29 79.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.586 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.38 -43.95 96.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.684 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.81 99.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.7 mmm -65.46 -42.32 92.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.517 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.569 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.8 mtm -63.84 -41.1 97.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.28 -45.54 92.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 0.0 110.531 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.96 -41.5 97.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.2 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.3 m -60.52 -45.67 92.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.56 -42.53 96.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.85 -43.12 98.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.238 0.542 . . . . 0.0 110.605 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.76 99.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.213 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.535 HD12 ' HE ' ' A' ' 88' ' ' ARG . 90.6 mt -64.75 -40.77 95.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.691 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -60.63 -41.9 95.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.248 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.1 -39.88 93.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.228 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.65 -43.75 83.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.476 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.29 -37.71 88.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 53' ' ' LEU . 36.7 mt -61.19 -43.56 98.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.309 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.84 -44.03 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.033 0.444 . . . . 0.0 110.019 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.457 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 68.0 tp60 -60.78 -43.25 98.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.269 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -59.83 -41.93 92.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.015 0.436 . . . . 0.0 110.025 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.18 -34.51 73.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.513 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.65 -60.07 2.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.735 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.401 ' CG1' HD22 ' A' ' 74' ' ' LEU . 70.0 mt -56.39 -36.75 48.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.858 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 -179.517 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.949 0.404 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.59 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.8 p -129.92 162.16 29.24 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.4 mt -57.09 -45.74 83.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.672 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.61 HG13 HG21 ' A' ' 8' ' ' VAL . 71.6 t -64.06 -47.83 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 120.896 0.379 . . . . 0.0 110.548 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.401 HD22 ' CG1' ' A' ' 59' ' ' ILE . 97.7 mt -63.22 -40.93 98.87 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -178.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 71' ' ' SER . 55.7 t -59.26 -47.18 91.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.155 -179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.16 -44.74 92.13 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.313 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -65.61 -43.46 89.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.609 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.3 -41.45 98.96 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.169 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 83' ' ' THR . 46.4 tp -57.79 -45.93 85.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.425 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -67.06 -46.83 73.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.713 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.67 -45.52 93.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.854 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.43 -43.48 98.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.242 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.9 p -64.15 -47.15 81.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.128 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.43 -49.12 76.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -58.05 -47.4 83.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.566 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.29 -45.36 93.63 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.103 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.4 85.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.856 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.535 ' HE ' HD12 ' A' ' 48' ' ' LEU . 8.9 tmm_? -58.16 -45.28 87.74 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.132 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.584 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 96.1 mt-10 -62.41 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.042 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.88 -42.74 94.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.178 0.513 . . . . 0.0 109.863 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.498 HD12 ' HB1' ' A' ' 22' ' ' ALA . 78.2 mt -60.61 -41.94 89.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.0 m -58.12 -45.55 87.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.018 0.437 . . . . 0.0 109.917 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.91 -43.71 98.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.542 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.559 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 81.0 mt -59.45 -43.34 93.2 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.569 HD12 ' SD ' ' A' ' 41' ' ' MET . 89.7 mt -61.94 -42.87 96.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.547 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.543 ' OE2' ' NZ ' ' B' ' 30' ' ' LYS . 81.1 tt0 -61.59 -38.76 88.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 97' ' ' LEU . 35.7 mt -61.79 -41.46 97.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.862 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.559 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.4 m80 -59.58 -38.12 80.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -62.24 -40.61 96.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.204 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.413 ' HZ3' ' HG2' ' A' ' 96' ' ' GLU . 62.2 mttp -64.39 -38.94 92.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.244 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.431 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.635 ' O ' HG23 ' B' ' 8' ' ' VAL . 65.1 mt . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 120.57 0.224 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.9 -49.21 75.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 110.33 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.64 -36.44 83.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.218 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.6 -42.92 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 4' ' ' LEU . 73.2 t -61.25 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.851 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.22 -41.97 89.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.06 -41.91 99.72 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.23 -43.02 99.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.409 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.46 -44.53 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.732 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.13 -44.34 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.92 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -61.77 -45.95 91.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.811 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.1 m -59.73 -44.3 93.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.141 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -42.53 99.34 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -63.47 -44.92 93.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.28 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.879 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.584 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 68.8 ttt180 -61.07 -45.34 95.13 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.1 t -56.14 -44.12 78.91 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.62 -41.52 97.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.733 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.509 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.55 -47.73 81.23 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.3 m-85 -59.22 -42.3 90.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.663 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.61 88.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.738 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.62 91.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.658 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.93 -44.85 95.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.333 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -55.08 -43.1 73.6 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -59.87 -41.25 91.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.933 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.12 93.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.75 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OE2' ' A' ' 96' ' ' GLU . 67.8 mttm -61.12 -30.27 70.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.02 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -80.15 -4.09 51.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.42 13.12 79.3 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.49 81.2 3.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 110.293 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -65.03 -34.55 78.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.603 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.44 -47.95 81.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.97 0.415 . . . . 0.0 110.753 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.77 81.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.434 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -48.17 79.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.526 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.47 -44.26 96.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.76 99.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.68 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.5 mmm -65.66 -42.32 91.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.613 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.583 ' SD ' HD12 ' B' ' 95' ' ' ILE . 74.1 mtm -63.73 -41.26 98.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.549 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -62.11 -45.7 92.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.444 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.81 -41.68 97.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.272 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -60.33 -45.87 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.441 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -60.49 -42.45 96.35 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.327 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.81 -42.93 98.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.267 0.556 . . . . 0.0 110.657 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.05 99.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.186 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.539 HD12 ' HE ' ' B' ' 88' ' ' ARG . 90.1 mt -65.38 -40.67 93.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.77 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -60.78 -41.62 95.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.299 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.23 -40.26 93.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.156 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.13 85.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.391 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.99 -38.15 90.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.288 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.75 -43.83 97.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.332 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.65 -43.6 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.049 0.452 . . . . 0.0 110.012 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.451 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 67.6 tp60 -61.27 -43.06 99.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.187 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.5 m -60.17 -41.87 93.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.959 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.31 -34.22 73.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.906 0.384 . . . . 0.0 110.553 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.0 mt -71.9 -60.08 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.703 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.402 ' CG1' HD22 ' B' ' 74' ' ' LEU . 69.4 mt -56.28 -36.97 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.764 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.489 -179.419 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.64 ' O ' HG23 ' B' ' 75' ' ' VAL . 14.9 p -129.41 164.24 24.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.548 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.6 mt -59.78 -45.25 92.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.57 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.607 HG13 HG21 ' B' ' 8' ' ' VAL . 67.3 t -63.49 -46.83 94.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.646 -178.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' LEU . . . . . 0.402 HD22 ' CG1' ' B' ' 59' ' ' ILE . 98.5 mt -63.84 -40.13 95.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 71' ' ' SER . 55.7 t -59.97 -47.51 91.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.268 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.19 -44.71 92.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.341 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.451 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -65.16 -43.55 91.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.896 0.379 . . . . 0.0 110.41 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.5 -41.56 98.53 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.241 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.497 ' O ' HG23 ' B' ' 83' ' ' THR . 46.3 tp -57.65 -45.87 84.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.35 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -66.88 -47.22 72.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.786 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.38 -45.48 94.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -62.46 -43.39 98.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.188 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.497 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.7 p -64.36 -46.85 81.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.149 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -62.65 -49.36 75.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.59 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -57.82 -47.56 82.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.528 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.85 -45.96 91.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.151 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.5 85.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.86 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.539 ' HE ' HD12 ' B' ' 48' ' ' LEU . 8.9 tmm_? -57.87 -45.54 86.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.262 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.7 mt-10 -62.04 -43.19 99.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.198 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.62 -42.57 95.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.066 0.46 . . . . 0.0 110.034 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.509 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.7 mt -60.77 -42.14 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.217 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.7 m -58.0 -45.5 86.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.028 0.442 . . . . 0.0 109.869 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.14 -43.37 98.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.515 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.552 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 81.6 mt -59.53 -43.64 93.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.583 HD12 ' SD ' ' B' ' 41' ' ' MET . 89.9 mt -61.81 -42.72 95.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.536 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 96' ' ' GLU . . . . . 0.5 ' OE2' ' NZ ' ' C' ' 30' ' ' LYS . 80.1 tt0 -61.52 -39.4 90.88 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' B' ' 97' ' ' LEU . 34.8 mt -61.38 -41.18 96.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.83 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.7 m80 -59.75 -38.32 81.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.23 -40.47 96.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.105 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -64.6 -38.76 92.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.201 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 101' ' ' LEU . 40.6 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.407 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.652 ' O ' HG23 ' C' ' 8' ' ' VAL . 65.5 mt . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.569 0.223 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.73 -49.79 73.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.29 -36.13 83.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.25 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.83 -42.9 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.652 HG23 ' O ' ' C' ' 4' ' ' LEU . 74.8 t -61.21 -45.55 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.021 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.36 -41.88 90.27 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.35 -41.55 99.41 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 11' ' ' LEU . 32.5 mt -63.43 -43.15 98.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.851 0.358 . . . . 0.0 110.352 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.21 -44.68 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.71 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.77 -44.5 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.042 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -61.85 -45.6 93.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.852 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 m -59.89 -44.22 94.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.202 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.54 -42.3 98.93 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -63.58 -44.79 93.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.78 -49.51 76.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.574 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 69.0 ttt180 -61.05 -45.21 95.67 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 40.1 t -56.23 -44.21 79.38 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.62 -41.61 97.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.696 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.511 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.37 -47.78 80.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.0 m-85 -59.29 -42.41 91.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.523 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.55 89.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.722 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.59 90.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.6 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -62.02 -44.73 96.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.41 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -55.16 -42.94 73.76 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -60.15 -41.07 91.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.939 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.1 93.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.788 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 30' ' ' LYS . . . . . 0.5 ' NZ ' ' OE2' ' B' ' 96' ' ' GLU . 68.0 mttm -61.28 -30.07 70.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.064 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -80.11 -4.01 51.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.467 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.24 13.2 79.42 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -95.73 81.25 3.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.758 0.313 . . . . 0.0 110.202 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -64.98 -34.48 78.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.578 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.95 81.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.018 0.437 . . . . 0.0 110.695 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.8 -35.82 81.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.344 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.25 -48.23 79.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.515 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.42 -44.17 96.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.634 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.88 99.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.8 mmm -65.56 -42.19 92.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.586 ' SD ' HD12 ' C' ' 95' ' ' ILE . 74.2 mtm -64.02 -41.26 97.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.606 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.09 -45.64 92.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.396 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.76 -41.72 97.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.288 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -60.27 -45.77 92.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.531 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.71 -42.33 97.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.364 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.61 -43.54 97.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.282 0.563 . . . . 0.0 110.563 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.51 99.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.313 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.517 HD12 ' HE ' ' C' ' 88' ' ' ARG . 89.2 mt -65.28 -40.59 94.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.721 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -60.95 -41.29 96.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.347 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.41 -40.31 93.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.033 0.444 . . . . 0.0 110.028 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.9 85.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.486 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.05 -38.15 90.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.261 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.11 -43.78 98.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.286 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 66.2 t -65.14 -44.27 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.062 0.458 . . . . 0.0 110.016 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.435 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 67.4 tp60 -60.67 -43.65 97.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.188 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.596 HG21 HG22 ' D' ' 356' ' ' THR . 19.6 m -59.57 -41.98 91.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.136 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.32 -34.12 73.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.912 0.387 . . . . 0.0 110.526 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -71.84 -59.97 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.819 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.4 ' CG1' HD22 ' C' ' 74' ' ' LEU . 69.1 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.825 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.647 ' O ' HG23 ' C' ' 75' ' ' VAL . 14.2 p . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 120.996 0.427 . . . . 0.0 110.562 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.38 -44.53 97.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.666 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.576 HG13 HG21 ' C' ' 8' ' ' VAL . 61.2 t -64.77 -47.33 89.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 130.068 3.347 . . . . 0.0 110.641 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 74' ' ' LEU . . . . . 0.4 HD22 ' CG1' ' C' ' 59' ' ' ILE . 96.3 mt -65.65 -40.2 92.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.027 0.441 . . . . 0.0 110.94 177.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.647 HG23 ' O ' ' C' ' 71' ' ' SER . 55.7 t -59.97 -47.87 90.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.2 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -59.43 -44.73 92.83 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.329 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.435 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -65.24 -43.18 92.21 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.92 0.39 . . . . 0.0 110.474 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.79 -41.49 97.93 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.272 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.492 ' O ' HG23 ' C' ' 83' ' ' THR . 46.0 tp -57.58 -46.24 84.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.46 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -66.58 -47.17 73.61 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.737 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.59 -45.47 93.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.809 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.37 -43.24 99.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.31 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.492 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.7 p -64.54 -46.79 81.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.166 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.76 -49.13 76.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.539 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.83 -47.86 81.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.632 0.253 . . . . 0.0 110.499 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.93 -45.63 92.86 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.18 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.22 -47.61 84.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.946 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.517 ' HE ' HD12 ' C' ' 48' ' ' LEU . 8.9 tmm_? -57.76 -45.87 85.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.221 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.51 -43.56 98.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.199 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.5 -42.74 95.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.471 . . . . 0.0 109.981 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.511 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.9 mt -60.43 -42.33 90.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.384 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 91.0 m -57.54 -45.92 84.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.09 0.471 . . . . 0.0 109.966 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.93 -43.43 98.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.457 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.553 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.6 mt -59.42 -43.42 93.05 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 95' ' ' ILE . . . . . 0.586 HD12 ' SD ' ' C' ' 41' ' ' MET . 90.0 mt -62.01 -42.94 96.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.557 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.04 -39.3 89.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.076 0.465 . . . . 0.0 109.765 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.46 -41.53 97.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.88 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.553 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.4 m80 -59.54 -38.11 80.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.705 179.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.49 -40.46 96.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.133 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -64.42 -39.0 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.189 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.367 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.532 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 121.886 0.85 . . . . 0.0 108.978 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.453 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.76 143.07 36.78 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.33 38.55 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.96 -1.087 . . . . 0.0 109.531 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.22 149.14 28.4 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.92 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.001 -1.062 . . . . 0.0 108.371 178.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.88 144.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.76 136.55 37.15 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 122.202 1.001 . . . . 0.0 110.082 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.83 114.25 24.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.87 -4.3 19.36 Favored 'General case' 0 C--N 1.265 -3.104 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.794 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.45 141.88 86.02 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.65 -1.906 . . . . 0.0 110.628 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.56 -47.67 13.03 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 124.759 3.639 . . . . 0.0 114.188 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 312' ' ' ASN . . . . . 0.548 HD21 ' CD2' ' D' ' 315' ' ' HIS . 22.7 p30 -102.15 27.54 6.57 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 116.048 -2.261 . . . . 0.0 108.754 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.16 -145.61 44.0 Favored Glycine 0 N--CA 1.496 2.67 0 C-N-CA 117.677 -2.202 . . . . 0.0 109.605 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.0 tp -88.42 79.7 7.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.932 -1.334 . . . . 0.0 109.562 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 315' ' ' HIS . . . . . 0.548 ' CD2' HD21 ' D' ' 312' ' ' ASN . 2.7 p80 -76.32 177.32 7.38 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 117.834 -1.547 . . . . 0.0 112.118 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 77.7 p -36.32 -69.43 0.11 Allowed 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 117.291 2.33 . . . . 0.0 117.291 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 6.9 tmm_? -56.49 -52.32 74.2 Favored Pre-proline 0 N--CA 1.493 1.69 0 C-N-CA 120.071 -0.651 . . . . 0.0 112.542 -176.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.21 -32.17 62.99 Favored 'Trans proline' 0 C--N 1.318 -1.066 0 CA-C-N 119.503 0.858 . . . . 0.0 111.557 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.501 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.05 -38.76 86.39 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.481 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.74 72.56 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.97 -39.36 93.96 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 118.003 -1.479 . . . . 0.0 109.485 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.71 -45.3 93.36 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 122.63 1.205 . . . . 0.0 108.705 -177.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 319' ' ' ALA . 61.7 t -62.68 -42.18 95.1 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.668 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.86 -40.24 96.08 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.311 -0.868 . . . . 0.0 109.819 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.8 -39.72 79.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.418 -0.801 . . . . 0.0 109.571 177.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.93 92.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.611 -1.306 . . . . 0.0 109.463 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.27 -16.29 44.0 Favored 'General case' 0 N--CA 1.511 2.595 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.58 86.07 Favored Glycine 0 N--CA 1.479 1.505 0 O-C-N 119.91 -1.744 . . . . 0.0 109.317 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.4 32.76 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.377 -1.66 . . . . 0.0 110.034 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.3 p -75.59 -30.14 59.52 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.188 -0.945 . . . . 0.0 112.316 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.76 158.5 10.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 119.772 -1.83 . . . . 0.0 112.836 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.582 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.88 130.21 35.4 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 102.87 -3.011 . . . . 0.0 102.87 171.228 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.69 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-O 122.171 0.986 . . . . 0.0 109.358 -178.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.9 143.21 50.97 Favored 'General case' 0 C--N 1.284 -2.239 0 CA-C-O 123.027 1.394 . . . . 0.0 110.013 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.7 t -108.17 129.94 61.58 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.762 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 173.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.46 119.58 26.43 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.858 -1.151 . . . . 0.0 108.927 -178.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.59 122.61 39.27 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.847 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.3 t30 51.77 38.98 24.53 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.88 -1.138 . . . . 0.0 112.698 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.05 83.58 Favored Glycine 0 N--CA 1.501 3.012 0 O-C-N 119.963 -1.711 . . . . 0.0 112.558 177.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.85 136.26 54.56 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.72 158.57 32.92 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-O 123.751 1.739 . . . . 0.0 112.449 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.41 31.34 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 112.512 -2.131 . . . . 0.0 108.566 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.6 136.0 48.88 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 173.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.442 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.0 -6.84 48.14 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.656 -1.277 . . . . 0.0 110.704 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.45 12.93 31.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.591 -1.318 . . . . 0.0 109.361 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.9 t -133.01 104.18 6.41 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.16 0.981 . . . . 0.0 110.153 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.29 -37.84 73.05 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.967 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -58.94 -51.42 70.13 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.603 -1.311 . . . . 0.0 113.02 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -69.99 -32.42 70.61 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 119.543 -1.973 . . . . 0.0 109.239 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.82 -33.72 75.81 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 118.926 -1.11 . . . . 0.0 109.982 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -67.7 -10.44 52.38 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.598 -0.688 . . . . 0.0 109.893 -177.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.6 p -89.76 -7.69 53.89 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 118.097 -1.441 . . . . 0.0 110.973 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.44 159.3 15.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.204 -0.935 . . . . 0.0 110.132 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.77 2.96 Favored Glycine 0 N--CA 1.484 1.881 0 N-CA-C 107.003 -2.439 . . . . 0.0 107.003 177.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.56 47.51 1.7 Allowed 'General case' 0 C--N 1.309 -1.154 0 O-C-N 120.657 -1.496 . . . . 0.0 107.421 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 57.9 p -81.56 172.45 13.45 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.174 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -60.61 140.91 57.22 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.294 -0.962 . . . . 0.0 109.889 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.45 -3.25 78.95 Favored Glycine 0 N--CA 1.501 3.028 0 C-N-CA 119.97 -1.109 . . . . 0.0 111.34 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.43 135.93 34.06 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.894 -1.356 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.53 123.7 48.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.496 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.19 160.11 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.325 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.634 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.3 m -108.95 128.44 54.94 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.536 -1.353 . . . . 0.0 107.587 175.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.9 121.47 60.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 176.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.27 50.72 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.592 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.17 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 118.498 -1.281 . . . . 0.0 109.784 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.532 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.87 6.46 Favored 'General case' 0 C--N 1.289 -2.037 0 C-N-CA 118.541 -1.264 . . . . 0.0 108.001 178.183 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.32 40.11 Favored Glycine 0 C--N 1.296 -1.679 0 C-N-CA 118.049 -2.025 . . . . 0.0 110.341 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.37 -40.57 82.62 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 114.369 -0.916 . . . . 0.0 112.186 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.1 36.8 3.55 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 115.902 -2.319 . . . . 0.0 108.59 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.54 65.86 Favored 'General case' 0 N--CA 1.521 3.105 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 -174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.461 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.6 27.8 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 119.63 -1.919 . . . . 0.0 111.016 -176.626 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.779 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.62 -40.6 97.32 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.48 77.68 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 117.412 -1.715 . . . . 0.0 110.01 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.84 -42.22 88.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 CA-C-O 122.231 1.015 . . . . 0.0 109.244 -178.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.8 -47.98 76.18 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-O 122.042 0.925 . . . . 0.0 108.751 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.779 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.73 -38.42 76.87 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.705 -178.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.3 mt -75.59 -28.6 59.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.372 -1.455 . . . . 0.0 110.872 -174.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.52 71.46 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.2 63.29 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.34 -45.19 84.55 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 119.024 -1.071 . . . . 0.0 110.486 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.496 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.39 -37.38 85.54 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.886 -1.134 . . . . 0.0 111.529 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.81 61.7 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.055 -1.028 . . . . 0.0 110.323 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.33 45.84 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.479 -0.763 . . . . 0.0 111.325 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 384' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.12 125.54 12.5 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 124.331 2.015 . . . . 0.0 112.845 178.708 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.794 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.0 mt-10 . . . . . 0 C--N 1.277 -2.554 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.104 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.2 mt . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -64.53 -47.47 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 0.0 110.265 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.97 -36.76 82.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.262 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.525 HG11 HD11 ' A' ' 58' ' ' LEU . 71.5 t -64.28 -42.28 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.606 HG21 HG13 ' A' ' 73' ' ' VAL . 66.6 t -60.85 -45.65 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.965 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.4 mtp -58.5 -42.36 87.47 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.31 -42.62 97.71 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.0 mt -63.12 -43.27 98.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 0.0 110.24 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.418 ' O ' ' OG ' ' A' ' 15' ' ' SER . 92.6 mt -63.1 -44.84 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.754 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.06 -44.03 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.992 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.569 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 53.0 t-20 -60.49 -45.89 92.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.848 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 12' ' ' ILE . 78.9 p -59.96 -43.97 94.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.943 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.54 -41.84 99.07 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.501 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.9 mm-40 -62.7 -43.27 99.22 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.562 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.75 -48.64 80.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.824 179.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -61.06 -46.49 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.3 p -56.28 -43.29 78.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.04 -41.56 98.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.654 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -57.03 -48.14 79.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.11 -41.51 92.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.673 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.76 97.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.755 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.33 87.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.677 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.14 -44.89 96.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.474 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -55.35 -42.83 74.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -60.6 -41.47 94.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.781 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.68 94.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.727 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.61 -29.22 69.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.134 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -80.02 -4.34 52.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.02 12.56 76.55 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.01 80.05 3.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.75 0.31 . . . . 0.0 110.3 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -64.49 -34.84 79.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.645 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -47.73 81.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.051 0.453 . . . . 0.0 110.692 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.92 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.383 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.32 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.534 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.24 -43.62 98.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.629 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.39 99.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.32 -41.02 94.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.47 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.44 ' O ' ' OG ' ' A' ' 44' ' ' SER . 4.8 mmt -62.69 -41.07 98.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.56 -43.85 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.975 0.417 . . . . 0.0 110.531 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.77 -41.5 97.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.24 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.27 -45.74 93.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.566 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.92 -42.61 98.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.329 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.79 -43.08 99.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.223 0.535 . . . . 0.0 110.51 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.61 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.272 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.681 HD12 ' HE ' ' A' ' 88' ' ' ARG . 91.0 mt -65.57 -40.03 92.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.68 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -61.07 -41.98 97.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.252 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.47 -39.71 92.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.266 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.8 -43.46 83.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.51 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -64.26 -37.36 87.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.367 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.74 -43.1 99.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.304 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.16 -43.01 97.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.052 0.453 . . . . 0.0 110.001 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.467 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 67.2 tp60 -61.16 -41.12 96.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.186 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.4 m -56.51 -44.5 80.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.953 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.7 -39.68 94.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.527 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.525 HD11 HG11 ' A' ' 7' ' ' VAL . 93.7 mt -65.28 -30.7 71.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.719 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.87 -33.8 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.84 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.527 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.915 0.388 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.509 ' O ' HG23 ' A' ' 75' ' ' VAL . 86.2 p -129.48 163.71 25.29 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 72' ' ' LEU . 36.9 mt -57.51 -44.39 85.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.667 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.606 HG13 HG21 ' A' ' 8' ' ' VAL . 55.3 t -63.0 -46.95 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.551 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.82 -40.89 98.8 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 71' ' ' SER . 53.0 t -60.19 -47.56 91.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.235 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -58.79 -47.1 85.93 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.302 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.467 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.02 -43.19 96.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.18 -41.64 99.24 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.106 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 83' ' ' THR . 41.6 tp -57.0 -47.02 81.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.34 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -66.84 -46.92 73.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.755 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.65 -45.29 93.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.83 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.0 -44.6 96.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.195 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.4 p -63.46 -46.55 85.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.12 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.75 -48.0 81.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.421 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -59.03 -48.88 80.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.512 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.4 -45.22 95.24 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.098 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.08 83.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.871 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.681 ' HE ' HD12 ' A' ' 48' ' ' LEU . 7.9 tmm_? -58.96 -45.05 91.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.134 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.12 -46.69 87.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.109 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 90' ' ' LEU . 95.7 mt -64.93 -42.68 94.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.126 0.488 . . . . 0.0 109.883 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.498 HD13 ' HB1' ' A' ' 22' ' ' ALA . 67.4 mt -60.21 -42.07 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.23 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -57.86 -45.22 86.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.047 0.451 . . . . 0.0 109.854 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.32 -42.19 99.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.631 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.5 mt -59.98 -42.83 95.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.33 -42.97 95.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.495 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.47 -38.85 85.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.488 HD21 ' NE2' ' B' ' 98' ' ' HIS . 39.7 mt -62.42 -40.76 97.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.875 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.8 m80 -59.42 -41.09 88.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -58.8 -40.47 84.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.183 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.9 -33.67 75.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.194 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.2 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 179.679 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.605 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.0 mt . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.599 0.237 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -64.46 -47.35 79.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.414 . . . . 0.0 110.385 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -67.03 -36.8 82.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.211 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.512 HG11 HD11 ' B' ' 58' ' ' LEU . 70.2 t -64.24 -42.57 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.318 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 4' ' ' LEU . 67.7 t -60.58 -45.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.88 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -58.94 -42.15 89.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.57 -42.65 97.31 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' B' ' 11' ' ' LEU . 36.9 mt -63.0 -43.28 99.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.771 0.32 . . . . 0.0 110.312 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.29 -44.93 99.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.661 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.78 -44.31 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.905 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ASN . . . . . 0.571 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 53.1 t-20 -60.35 -45.86 91.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.799 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -59.88 -44.29 94.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.06 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.34 -41.65 99.4 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.441 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.9 mm-40 -62.78 -43.41 98.86 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.552 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.7 -48.23 81.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.942 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -61.14 -46.51 90.24 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.2 p -56.52 -43.01 79.38 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.12 -41.76 98.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.693 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -56.96 -48.23 78.86 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -60.16 -41.35 92.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.7 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.07 96.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.667 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.01 -44.04 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.627 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.21 -45.32 95.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.345 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -55.18 -42.73 73.57 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.51 -41.82 95.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.906 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.97 93.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.742 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.31 -29.62 69.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.071 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.91 -4.49 52.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.432 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.44 12.11 76.36 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -95.82 79.99 3.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.336 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -64.43 -34.93 79.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.28 80.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 110.798 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.28 80.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.39 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.38 -48.17 79.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.596 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.33 -43.62 98.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.51 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.29 99.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.7 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.37 -41.31 93.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.507 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.443 ' O ' ' OG ' ' B' ' 44' ' ' SER . 4.8 mmt -62.32 -41.4 98.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.629 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.45 -44.0 97.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.42 -41.59 98.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.28 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.3 p -61.36 -46.06 91.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -60.52 -42.57 96.73 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.316 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.85 -43.07 99.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.331 0.586 . . . . 0.0 110.646 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.28 98.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.151 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.669 HD12 ' HE ' ' B' ' 88' ' ' ARG . 90.2 mt -65.82 -40.25 91.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.736 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -61.03 -41.87 97.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.295 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.4 -40.04 92.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.17 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.571 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.7 -43.19 85.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.482 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -64.37 -37.64 88.23 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.247 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.2 mt -61.41 -43.43 98.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.351 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.86 -43.46 97.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.043 0.449 . . . . 0.0 109.972 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.473 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 67.5 tp60 -60.52 -41.32 94.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.312 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.7 m -56.66 -44.26 81.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.926 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.85 -39.55 94.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.881 0.372 . . . . 0.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.512 HD11 HG11 ' B' ' 7' ' ' VAL . 93.8 mt -65.3 -30.8 71.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.69 -33.83 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.8 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.521 -179.924 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.849 0.357 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.537 ' O ' HG23 ' B' ' 75' ' ' VAL . 91.0 p -128.99 165.14 21.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.587 -178.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.74 -44.05 93.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.592 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.586 HG13 HG21 ' B' ' 8' ' ' VAL . 52.2 t -62.31 -46.26 96.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.545 -178.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.14 -40.36 97.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 71' ' ' SER . 59.7 t -60.44 -48.31 88.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.25 -179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.32 -46.86 85.38 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.325 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.473 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -64.21 -42.87 96.42 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.87 0.367 . . . . 0.0 110.439 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.45 -41.74 98.64 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.29 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.452 ' O ' HG23 ' B' ' 83' ' ' THR . 42.3 tp -56.97 -46.86 81.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.402 -179.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -66.9 -47.07 72.93 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.751 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.74 -45.17 93.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -62.04 -44.6 96.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.268 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.452 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.6 p -63.2 -46.36 87.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.169 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -62.81 -48.34 79.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.2 ttp -58.81 -48.92 79.62 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.511 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.29 -45.64 93.63 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.168 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.36 81.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.874 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.669 ' HE ' HD12 ' B' ' 48' ' ' LEU . 8.0 tmm_? -58.55 -45.48 88.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.282 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.67 -46.44 89.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.169 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 90' ' ' LEU . 94.2 mt -65.35 -42.2 93.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.169 0.509 . . . . 0.0 110.065 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.498 HD13 ' HB1' ' B' ' 22' ' ' ALA . 67.5 mt -60.79 -41.97 90.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.221 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.7 -45.71 85.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.068 0.461 . . . . 0.0 109.901 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.83 -42.23 98.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.534 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 15.0 mt -60.06 -42.83 95.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.32 -42.95 95.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.504 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.36 -39.1 86.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.486 HD21 ' NE2' ' C' ' 98' ' ' HIS . 39.3 mt -62.32 -40.75 97.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.823 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.9 m80 -59.34 -41.28 88.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.54 -40.59 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.042 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.02 -33.47 75.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.188 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.404 HD21 HD21 ' C' ' 101' ' ' LEU . 50.0 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.398 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.611 ' O ' HG23 ' C' ' 8' ' ' VAL . 98.0 mt . . . . . 0 CA--C 1.52 -0.195 0 CA-C-O 120.629 0.252 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.2 -47.79 78.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 110.332 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -66.71 -36.79 83.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.33 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.516 HG11 HD11 ' C' ' 58' ' ' LEU . 71.8 t -64.07 -42.42 95.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.296 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.611 HG23 ' O ' ' C' ' 4' ' ' LEU . 68.5 t -60.93 -45.26 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.987 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.9 mtp -58.96 -42.1 89.07 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.5 97.43 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' C' ' 11' ' ' LEU . 36.9 mt -63.25 -43.21 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.391 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.407 ' O ' ' OG ' ' C' ' 15' ' ' SER . 93.2 mt -63.34 -44.56 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.742 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.81 -44.49 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.011 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' ASN . . . . . 0.578 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 52.8 t-20 -60.42 -45.8 92.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.853 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 15' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' C' ' 12' ' ' ILE . 78.7 p -59.79 -44.0 94.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.195 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.59 -41.72 99.05 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' GLN . . . . . 0.456 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -62.89 -42.81 99.91 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.557 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -59.5 -48.04 83.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -61.51 -46.45 89.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.5 p -56.24 -43.42 78.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 74.3 mt -61.99 -41.52 98.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.685 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.477 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -57.11 -48.14 79.36 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -60.16 -41.53 92.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.557 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.76 97.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.67 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -43.84 87.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.584 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.64 -44.82 96.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.425 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -55.7 -42.34 75.09 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.93 -41.46 96.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.88 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.74 94.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.833 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.64 -29.36 70.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.009 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -79.91 -4.58 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.447 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.33 12.87 75.01 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.28 79.93 3.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.73 0.3 . . . . 0.0 110.298 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -64.48 -34.93 79.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.556 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.24 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.091 0.472 . . . . 0.0 110.634 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.06 82.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.378 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.93 -48.12 80.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.53 -43.53 98.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.607 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.36 99.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.45 -41.27 93.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.419 ' O ' ' OG ' ' C' ' 44' ' ' SER . 4.8 mmt -62.3 -41.3 98.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.614 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.51 -44.06 97.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.479 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.22 -41.85 99.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.341 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.8 p -61.14 -46.07 92.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.5 -42.6 96.67 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.318 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.88 -42.95 99.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.298 0.571 . . . . 0.0 110.556 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.65 99.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.327 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.683 HD12 ' HE ' ' C' ' 88' ' ' ARG . 91.1 mt -65.67 -40.45 92.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 49' ' ' ASN . . . . . 0.4 ' C ' ' OD1' ' C' ' 49' ' ' ASN . 52.6 t-20 -60.86 -42.11 97.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.97 -40.31 94.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.03 0.443 . . . . 0.0 110.06 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 51' ' ' ALA . . . . . 0.578 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.45 -43.77 84.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.456 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' D' ' 312' ' ' ASN . 12.8 t-80 -63.96 -37.45 87.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.28 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 53' ' ' LEU . 37.4 mt -61.76 -43.14 99.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.329 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.83 -43.47 97.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 0.0 109.981 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.474 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 66.8 tp60 -60.75 -41.12 94.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.326 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 78.1 m -56.6 -44.29 80.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.104 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.89 -39.4 94.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.502 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.516 HD11 HG11 ' C' ' 7' ' ' VAL . 94.5 mt -65.41 -30.54 71.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.755 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 -179.638 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.544 ' O ' HG23 ' C' ' 75' ' ' VAL . 92.8 p . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.987 0.422 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 72' ' ' LEU . 20.9 mt -61.71 -43.1 99.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.658 -177.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.516 HG13 HG21 ' C' ' 8' ' ' VAL . 49.7 t -63.6 -46.41 94.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 130.069 3.348 . . . . 0.0 110.597 -178.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.47 -40.06 92.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.077 0.465 . . . . 0.0 110.977 177.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.544 HG23 ' O ' ' C' ' 71' ' ' SER . 58.9 t -60.58 -48.47 88.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.239 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.67 -47.0 85.97 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.34 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 77' ' ' ALA . . . . . 0.474 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -64.29 -42.93 96.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.835 0.35 . . . . 0.0 110.362 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.47 -41.09 98.6 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.266 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.442 ' O ' HG23 ' C' ' 83' ' ' THR . 42.4 tp -57.69 -46.76 83.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.513 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -66.93 -47.0 73.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.84 -45.25 93.47 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.85 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.83 -44.4 96.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.432 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.442 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.5 p -63.6 -46.56 85.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.208 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 79.3 p -62.61 -48.0 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.588 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -58.86 -49.23 78.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.479 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.27 -45.23 95.36 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.155 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.71 -48.15 82.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.975 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.683 ' HE ' HD12 ' C' ' 48' ' ' LEU . 8.0 tmm_? -58.71 -45.48 89.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.221 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.46 -46.61 89.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.201 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.34 -42.34 93.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.155 0.502 . . . . 0.0 110.013 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.477 HD13 ' HB1' ' C' ' 22' ' ' ALA . 67.8 mt -60.44 -42.13 89.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.378 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.6 m -57.71 -45.55 85.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.081 0.467 . . . . 0.0 110.028 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.99 -42.26 98.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.472 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.533 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.8 mt -59.97 -42.87 95.07 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.28 -42.85 95.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.545 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -60.3 -39.23 86.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.717 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.06 -40.79 96.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.926 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 72.1 m80 -59.5 -41.31 89.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.695 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.72 -40.13 82.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.027 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.3 -33.33 75.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.173 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 101' ' ' LEU . . . . . 0.404 HD21 HD21 ' B' ' 101' ' ' LEU . 48.7 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.236 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 121.852 0.834 . . . . 0.0 109.03 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.75 142.97 36.75 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.96 156.31 38.64 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.046 -1.034 . . . . 0.0 109.643 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.21 28.5 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.27 152.32 18.99 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.076 -1.015 . . . . 0.0 108.332 178.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.56 37.08 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.113 0.958 . . . . 0.0 110.138 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.86 114.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.84 -4.34 19.37 Favored 'General case' 0 C--N 1.264 -3.116 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.803 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.84 85.83 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 119.65 -1.906 . . . . 0.0 110.628 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -45.58 -47.59 13.18 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 124.783 3.656 . . . . 0.0 114.121 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -102.12 27.45 6.63 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 116.178 -2.209 . . . . 0.0 108.787 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.39 -142.53 46.81 Favored Glycine 0 N--CA 1.497 2.722 0 C-N-CA 117.671 -2.204 . . . . 0.0 109.591 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.9 tp -88.77 75.84 8.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.952 -1.323 . . . . 0.0 109.495 -177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -69.8 176.31 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 117.861 -1.536 . . . . 0.0 112.133 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.543 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.4 p -39.47 -67.19 0.23 Allowed 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 117.196 2.295 . . . . 0.0 117.196 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.543 ' N ' ' OG1' ' D' ' 316' ' ' THR . 7.8 tmm_? -57.24 -51.61 80.43 Favored Pre-proline 0 N--CA 1.493 1.692 0 C-N-CA 120.176 -0.61 . . . . 0.0 112.494 -177.036 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.9 Cg_endo -64.27 -32.19 62.3 Favored 'Trans proline' 0 C--N 1.317 -1.104 0 C-N-CA 120.568 0.845 . . . . 0.0 111.477 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.488 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.01 -38.83 86.67 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.252 -0.905 . . . . 0.0 109.489 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.474 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.87 -39.79 72.68 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.89 -39.44 94.19 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 117.987 -1.485 . . . . 0.0 109.533 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.31 93.36 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.526 1.155 . . . . 0.0 108.643 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.488 HG23 ' O ' ' D' ' 319' ' ' ALA . 58.0 t -62.7 -42.25 95.4 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.319 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.611 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 324' ' ' LYS . . . . . 0.517 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.1 mttt -63.88 -40.25 96.1 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.174 -0.954 . . . . 0.0 109.8 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.79 80.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.424 -0.798 . . . . 0.0 109.555 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.0 -44.0 91.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.559 -1.338 . . . . 0.0 109.454 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.27 -16.22 43.27 Favored 'General case' 0 N--CA 1.511 2.576 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.67 86.01 Favored Glycine 0 N--CA 1.479 1.502 0 O-C-N 119.838 -1.789 . . . . 0.0 109.299 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.401 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.44 143.37 32.79 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.224 -1.751 . . . . 0.0 109.979 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.61 -30.11 59.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.278 -0.889 . . . . 0.0 112.302 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.83 158.51 10.42 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.716 -1.865 . . . . 0.0 112.827 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.581 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.81 130.22 35.47 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 102.84 -3.022 . . . . 0.0 102.84 171.251 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.71 136.59 60.38 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-O 122.23 1.014 . . . . 0.0 109.313 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.9 143.13 51.01 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-O 123.065 1.412 . . . . 0.0 110.024 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.1 t -108.03 129.91 61.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.717 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 173.084 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.48 119.58 26.4 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.731 -1.231 . . . . 0.0 108.972 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.54 122.59 39.26 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.495 -0.753 . . . . 0.0 109.918 177.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.71 39.0 24.38 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.888 -1.133 . . . . 0.0 112.823 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.62 11.03 83.57 Favored Glycine 0 N--CA 1.502 3.085 0 O-C-N 119.942 -1.724 . . . . 0.0 112.492 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.9 136.21 54.59 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.69 158.53 32.98 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-O 123.738 1.732 . . . . 0.0 112.468 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.69 151.4 31.4 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 112.579 -2.101 . . . . 0.0 108.634 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.61 136.0 48.85 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.436 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.81 47.94 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.685 -1.259 . . . . 0.0 110.668 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.49 12.97 31.53 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.665 -1.272 . . . . 0.0 109.381 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 98.8 p -133.1 104.19 6.39 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 122.253 1.025 . . . . 0.0 110.183 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.9 tp -57.29 -37.86 73.08 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.934 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -58.85 -51.36 70.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.56 -1.337 . . . . 0.0 113.117 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.02 -32.5 70.69 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 119.625 -1.922 . . . . 0.0 109.232 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.68 -33.8 75.8 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.974 -177.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -67.65 -10.47 52.54 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.641 -0.662 . . . . 0.0 109.929 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.1 p -89.8 -7.69 53.79 Favored 'General case' 0 N--CA 1.502 2.157 0 C-N-CA 118.091 -1.444 . . . . 0.0 110.94 -178.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.36 159.3 15.32 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.227 -0.921 . . . . 0.0 110.159 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.85 2.97 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 106.9 -2.48 . . . . 0.0 106.9 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.4 mt -119.62 47.37 1.73 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.708 -1.466 . . . . 0.0 107.425 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 356' ' ' THR . . . . . 0.699 HG22 HG21 ' C' ' 56' ' ' THR . 2.7 p -81.37 172.56 13.41 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.226 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -60.75 140.91 57.4 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.28 -0.968 . . . . 0.0 109.9 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.04 78.91 Favored Glycine 0 N--CA 1.501 2.995 0 C-N-CA 120.069 -1.063 . . . . 0.0 111.338 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.5 135.92 34.03 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.881 -1.364 . . . . 0.0 110.581 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.4 t -96.5 123.78 48.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.483 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.23 160.0 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.277 0 C-N-CA 117.422 -1.711 . . . . 0.0 110.693 178.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.87 128.38 54.86 Favored 'General case' 0 C--O 1.214 -0.816 0 O-C-N 120.55 -1.344 . . . . 0.0 107.594 175.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.89 121.42 60.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.24 50.71 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 -179.569 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.4 47.19 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 118.557 -1.257 . . . . 0.0 109.82 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.73 6.4 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 118.577 -1.249 . . . . 0.0 108.051 178.219 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.27 40.15 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 118.018 -2.039 . . . . 0.0 110.357 178.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.37 -40.58 82.69 Favored 'General case' 0 C--N 1.276 -2.63 0 CA-C-N 114.399 -0.901 . . . . 0.0 112.262 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -114.03 36.78 3.54 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 115.853 -2.339 . . . . 0.0 108.612 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.51 65.82 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.483 ' HG2' ' H ' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.9 -45.63 27.32 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 119.567 -1.958 . . . . 0.0 110.966 -176.586 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.77 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.54 -40.68 97.64 Favored 'General case' 0 C--N 1.283 -2.295 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.46 77.79 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 117.449 -1.7 . . . . 0.0 110.038 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.4 t -66.89 -42.24 88.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.242 1.02 . . . . 0.0 109.237 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.88 -47.91 76.54 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 121.992 0.901 . . . . 0.0 108.701 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.77 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.76 -38.29 76.71 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.769 -178.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.4 mt -75.6 -28.62 58.95 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.346 -1.471 . . . . 0.0 110.865 -174.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.45 70.58 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.394 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.19 63.43 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.3 -45.22 84.37 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.029 -1.069 . . . . 0.0 110.501 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.483 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.37 -37.39 85.53 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.933 -1.104 . . . . 0.0 111.472 -177.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.84 61.7 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.124 -0.985 . . . . 0.0 110.254 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.9 -32.2 45.65 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.521 -0.737 . . . . 0.0 111.362 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.15 125.51 12.48 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.354 2.026 . . . . 0.0 112.852 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.803 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.0 mm-40 . . . . . 0 C--N 1.277 -2.553 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.13 -177.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.643 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.8 mt . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -65.07 -47.22 78.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.882 0.372 . . . . 0.0 110.268 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -67.54 -36.8 81.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 58' ' ' LEU . 82.2 t -64.07 -42.01 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.422 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 4' ' ' LEU . 71.2 t -60.39 -44.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.929 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.9 mtp -59.49 -41.08 89.01 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.32 -41.69 98.07 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.16 -43.05 99.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.879 0.371 . . . . 0.0 110.247 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.17 -43.99 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.517 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 86.8 mt -63.48 -44.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.944 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -61.43 -45.68 93.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.722 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -60.38 -43.8 96.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.018 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.37 -42.17 97.8 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.5 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.7 mm-40 -64.17 -42.81 96.56 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.418 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.69 -48.88 79.6 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -61.18 -47.39 86.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.8 p -54.32 -44.78 72.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.02 -42.66 99.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.706 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.585 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -58.79 -50.25 74.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.34 -42.35 91.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.564 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.11 93.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.738 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.47 -42.54 87.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.618 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.34 -45.18 95.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.459 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' OE1' ' A' ' 31' ' ' GLN . 66.1 tttm -55.91 -42.21 75.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.65 -41.69 95.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.774 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.72 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.715 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.15 -29.24 69.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.124 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.489 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 27.3 mt-30 -79.52 -4.51 51.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.389 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 12.51 76.39 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -96.04 79.79 3.25 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.73 0.3 . . . . 0.0 110.299 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -64.25 -35.0 79.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.711 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.82 -48.53 78.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.068 0.461 . . . . 0.0 110.69 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.21 -35.06 79.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.321 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.39 -48.02 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.515 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -42.27 98.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.347 . . . . 0.0 110.651 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.3 -42.34 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.77 -40.66 92.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.5 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.439 ' SD ' ' CD1' ' A' ' 95' ' ' ILE . 92.5 mmm -63.32 -41.12 98.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.645 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.84 -43.97 97.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.581 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.68 -40.91 97.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.205 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -61.25 -46.56 89.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.53 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -60.37 -42.05 95.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.265 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtt -61.78 -42.1 98.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.238 0.542 . . . . 0.0 110.624 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.56 98.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.16 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.518 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 99.4 mt -65.22 -39.92 93.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.647 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.04 -41.6 96.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.839 0.352 . . . . 0.0 110.312 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -64.9 -40.63 95.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.157 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.61 82.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.429 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.27 -38.22 88.5 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.394 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.6 -42.78 99.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.343 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.57 -43.72 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.043 0.449 . . . . 0.0 110.018 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -60.33 -42.13 94.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.4 m -56.89 -43.34 81.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.119 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -62.99 -39.38 94.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.572 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.506 HD11 HG11 ' A' ' 7' ' ' VAL . 96.2 mt -63.74 -29.75 70.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.641 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.9 -31.65 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.465 -179.903 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.451 HG23 ' CD2' ' B' ' 72' ' ' LEU . 21.0 m . . . . . 0 N--CA 1.461 0.091 0 CA-C-O 120.89 0.376 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 75' ' ' VAL . 84.5 p -131.85 165.54 23.61 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 178.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.21 -43.39 82.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.599 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.509 HG13 HG21 ' A' ' 8' ' ' VAL . 55.2 t -62.74 -45.55 98.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.887 0.375 . . . . 0.0 110.544 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.88 -39.9 93.55 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-O 121.081 0.467 . . . . 0.0 110.981 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 71' ' ' SER . 53.3 t -59.34 -47.51 90.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.189 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -58.44 -45.81 87.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.776 0.322 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.21 -41.66 99.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.756 0.312 . . . . 0.0 110.694 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.69 -39.88 95.42 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.195 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 83' ' ' THR . 30.5 tp -56.74 -47.77 79.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.367 -179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -66.58 -46.33 76.34 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.739 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.16 -45.7 92.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.805 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.53 -44.13 97.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.221 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.9 p -62.98 -46.9 85.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.4 t -62.95 -47.47 83.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.418 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 31.7 ttm -58.86 -48.22 82.15 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.566 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.699 HD13 HH12 ' B' ' 19' ' ' ARG . 54.8 tp -60.97 -44.98 96.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.103 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.13 90.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.855 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.518 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 7.8 tmm_? -61.66 -45.66 93.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.064 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.63 -48.29 82.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.15 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.13 -40.82 97.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.102 0.477 . . . . 0.0 109.81 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.585 HD13 ' HB1' ' A' ' 22' ' ' ALA . 33.0 mt -60.18 -41.76 87.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.299 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.6 m -57.47 -45.81 84.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.043 0.449 . . . . 0.0 109.863 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.95 -42.27 99.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.516 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.27 -43.07 96.5 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.439 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 88.2 mt -60.9 -43.2 95.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.473 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -59.3 -38.89 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.098 0.475 . . . . 0.0 109.788 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.44 -41.12 98.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.869 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -59.3 -41.06 88.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -59.44 -41.5 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.18 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.79 -34.13 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.25 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.48 HD21 HD21 ' B' ' 101' ' ' LEU . 36.6 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.397 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.658 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.8 mt . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.642 0.258 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.17 -47.42 77.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.303 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -67.42 -36.69 81.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.16 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.499 HG11 HD11 ' B' ' 58' ' ' LEU . 83.3 t -64.14 -42.0 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.362 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.658 HG23 ' O ' ' B' ' 4' ' ' LEU . 71.1 t -60.58 -44.27 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.846 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.74 -40.9 89.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.59 -41.75 97.69 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 11' ' ' LEU . 88.0 mt -63.18 -42.64 99.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.828 0.346 . . . . 0.0 110.415 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.73 -43.89 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.694 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.42 -44.21 98.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.918 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -61.43 -45.65 93.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.893 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -60.18 -44.01 95.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.101 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.24 97.89 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.505 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.6 mm-40 -63.99 -42.79 97.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ALA . . . . . 0.407 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.88 -48.52 81.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.906 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.699 HH12 HD13 ' A' ' 86' ' ' LEU . 63.2 ttm-85 -61.29 -47.32 86.5 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 79.3 p -54.26 -45.09 72.33 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.69 -42.7 99.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.713 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.549 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -59.1 -50.09 75.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.41 -42.14 91.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.704 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.43 94.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.704 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.52 86.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.611 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.39 -45.32 94.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.305 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.479 ' NZ ' ' OE1' ' B' ' 31' ' ' GLN . 65.8 tttm -55.92 -42.03 75.46 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.99 -41.45 96.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.876 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.52 94.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.598 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.31 -29.35 69.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.062 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.479 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 27.2 mt-30 -79.56 -4.29 50.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.337 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.79 12.72 76.84 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -96.07 79.62 3.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.858 0.361 . . . . 0.0 110.31 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -64.27 -34.86 79.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.604 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.66 78.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 110.822 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.19 -34.9 79.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.44 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.51 -48.01 79.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.548 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.63 -42.69 99.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.849 0.357 . . . . 0.0 110.606 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.49 99.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.693 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.76 -40.34 91.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.436 ' SD ' ' CD1' ' B' ' 95' ' ' ILE . 92.4 mmm -63.65 -41.04 98.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.17 -43.6 98.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.415 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.79 -41.11 97.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.33 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.08 -46.78 89.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.433 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -60.11 -42.23 94.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.288 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 60.7 mtt -61.36 -42.65 99.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.307 0.575 . . . . 0.0 110.672 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.5 99.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.155 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.528 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 98.2 mt -65.27 -39.94 93.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.735 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.88 -41.7 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.369 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.88 -40.7 95.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.156 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.9 82.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.455 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.94 -38.68 89.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.313 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.96 -43.22 99.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.319 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.27 -44.15 97.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.036 0.446 . . . . 0.0 109.99 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -60.07 -42.15 93.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.21 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -56.89 -43.59 81.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.919 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -62.86 -39.36 94.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.934 0.397 . . . . 0.0 110.615 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.499 HD11 HG11 ' B' ' 7' ' ' VAL . 96.3 mt -63.64 -29.47 70.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.706 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.23 -31.59 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.796 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.522 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.493 HG23 ' CD2' ' C' ' 72' ' ' LEU . 24.9 m . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.887 0.375 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' SER . . . . . 0.428 ' O ' HG23 ' B' ' 75' ' ' VAL . 88.1 p -130.51 167.12 19.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.476 -178.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' LEU . . . . . 0.451 ' CD2' HG23 ' A' ' 70' ' ' VAL . 8.3 tt -59.76 -42.97 94.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.536 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.489 HG13 HG21 ' B' ' 8' ' ' VAL . 56.1 t -62.25 -44.94 99.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.608 -178.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.23 -39.12 91.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.123 0.487 . . . . 0.0 110.935 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 71' ' ' SER . 53.5 t -60.04 -47.43 91.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.256 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.6 -45.51 88.98 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.79 98.78 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.929 0.395 . . . . 0.0 110.426 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.5 -39.72 95.17 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.242 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.476 ' O ' HG23 ' B' ' 83' ' ' THR . 29.4 tp -56.99 -47.4 80.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.433 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -67.02 -46.34 74.78 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.701 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.84 -45.91 91.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.817 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.43 -43.98 97.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.247 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.476 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.3 p -63.14 -47.16 83.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.136 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 37.5 t -62.45 -47.44 84.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 32.0 ttm -58.91 -48.78 80.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.431 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.689 HD13 HH12 ' C' ' 19' ' ' ARG . 54.6 tp -60.6 -45.08 95.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.141 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.62 88.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.867 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.528 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 7.8 tmm_? -60.96 -46.08 92.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.291 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.446 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.9 mt-10 -60.33 -48.35 82.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.15 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.94 -40.94 97.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.08 0.467 . . . . 0.0 110.02 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.549 HD13 ' HB1' ' B' ' 22' ' ' ALA . 32.6 mt -60.2 -41.89 88.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.227 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 18.1 m -57.39 -45.58 84.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.012 0.435 . . . . 0.0 109.829 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.16 -42.01 99.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.491 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.43 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 83.2 mt -60.45 -42.92 97.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.436 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 89.3 mt -61.08 -42.89 94.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.546 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -59.58 -39.08 82.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.708 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.35 -41.34 98.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.836 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.0 m80 -58.9 -41.28 86.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.802 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -59.48 -41.26 89.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.111 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.95 -34.0 76.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.487 HD21 HD21 ' C' ' 101' ' ' LEU . 37.8 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.366 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.655 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.4 mt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.594 0.235 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.87 -47.34 78.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 0.0 110.404 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -67.42 -36.87 82.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.352 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.48 HG11 HD11 ' C' ' 58' ' ' LEU . 83.8 t -64.06 -42.07 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.378 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.655 HG23 ' O ' ' C' ' 4' ' ' LEU . 70.4 t -60.32 -44.66 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.975 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.6 mtp -59.35 -41.11 88.47 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.2 -41.86 98.16 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.9 -43.19 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 110.424 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.18 -43.88 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.742 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.57 -44.15 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.101 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -61.34 -45.72 93.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.752 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -60.27 -44.04 95.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.168 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.24 -42.29 97.95 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' GLN . . . . . 0.489 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.2 mm-40 -63.85 -42.5 97.56 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.06 79.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.689 HH12 HD13 ' B' ' 86' ' ' LEU . 63.3 ttm-85 -60.83 -47.54 85.91 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 20' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.7 p -54.27 -44.83 72.18 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.76 -42.78 99.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.739 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.576 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -58.88 -50.44 73.99 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.446 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.1 m-85 -59.0 -42.76 90.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.556 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.21 92.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.755 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.77 87.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.601 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.28 -45.27 95.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.442 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' OE1' ' C' ' 31' ' ' GLN . 66.1 tttm -55.78 -42.25 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.91 -41.65 96.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.92 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.09 93.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.814 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.78 -29.24 70.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.065 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.489 ' OE1' ' NZ ' ' C' ' 27' ' ' LYS . 27.1 mt-30 -79.29 -4.43 50.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.21 12.18 76.82 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -95.89 80.37 3.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.754 0.312 . . . . 0.0 110.208 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -64.75 -35.12 80.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.526 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.38 79.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.046 0.451 . . . . 0.0 110.67 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -34.99 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.342 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.58 81.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.487 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.04 -42.96 99.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.61 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.6 99.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.759 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.67 -40.67 92.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.437 ' SD ' ' CD1' ' C' ' 95' ' ' ILE . 92.4 mmm -63.41 -41.44 98.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.584 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.85 -43.99 97.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.417 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.14 -41.2 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.318 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -61.18 -46.64 89.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.501 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.23 -42.33 94.98 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.334 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.9 mtt -61.18 -42.95 99.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.304 0.573 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.72 99.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.315 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.519 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 97.3 mt -65.19 -39.53 92.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.782 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.68 -40.94 96.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.397 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.55 -40.52 92.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.014 0.435 . . . . 0.0 110.068 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.4 -44.73 82.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.51 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.06 -38.24 88.03 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.39 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.51 -43.12 99.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.321 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.22 -43.81 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.019 0.438 . . . . 0.0 109.982 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.34 -42.11 95.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.228 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.699 HG21 HG22 ' D' ' 356' ' ' THR . 16.8 m -56.88 -43.21 81.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.123 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -63.2 -39.44 94.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.53 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.48 HD11 HG11 ' C' ' 7' ' ' VAL . 95.9 mt -63.45 -29.67 70.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.754 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.819 -179.728 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 71' ' ' SER . . . . . 0.459 ' O ' HG23 ' C' ' 75' ' ' VAL . 87.7 p . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 121.052 0.453 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 72' ' ' LEU . . . . . 0.493 ' CD2' HG23 ' B' ' 70' ' ' VAL . 7.5 tt -60.27 -43.72 95.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.731 -177.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.47 HG13 HG21 ' C' ' 8' ' ' VAL . 54.4 t -62.59 -45.63 98.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 130.042 3.337 . . . . 0.0 110.602 -178.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.94 -39.03 93.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.999 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 75' ' ' VAL . . . . . 0.459 HG23 ' O ' ' C' ' 71' ' ' SER . 54.6 t -60.1 -47.86 90.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.169 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.64 -45.6 88.93 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.352 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.78 98.56 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.871 0.367 . . . . 0.0 110.398 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.59 -39.74 95.16 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.32 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.475 ' O ' HG23 ' C' ' 83' ' ' THR . 29.1 tp -56.76 -47.85 79.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.45 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -66.62 -46.36 76.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.668 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.19 -45.47 93.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.8 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.68 -43.93 97.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.359 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.475 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.8 p -63.09 -46.94 85.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.195 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 36.1 t -62.78 -47.43 83.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 31.7 ttm -59.02 -48.59 81.03 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.475 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.71 -44.91 96.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.398 . . . . 0.0 110.195 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.48 88.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.981 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 88' ' ' ARG . . . . . 0.519 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 8.0 tmm_? -61.18 -46.2 91.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.211 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.13 -48.32 82.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.208 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.09 -41.14 97.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.183 0.516 . . . . 0.0 110.017 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.576 HD13 ' HB1' ' C' ' 22' ' ' ALA . 33.1 mt -59.9 -41.9 87.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.367 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -57.3 -45.44 84.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.129 0.49 . . . . 0.0 109.993 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.37 -42.01 98.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.456 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.458 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 84.1 mt -60.34 -42.86 96.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 95' ' ' ILE . . . . . 0.437 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 88.5 mt -61.16 -43.08 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.513 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.2 -39.11 81.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.129 0.49 . . . . 0.0 109.781 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.44 -41.24 98.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.831 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.458 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.1 m80 -59.09 -41.2 87.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.77 -40.87 89.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.081 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.09 -33.95 76.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.167 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 101' ' ' LEU . . . . . 0.487 HD21 HD21 ' B' ' 101' ' ' LEU . 37.0 mt . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.323 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 301' ' ' MET . . . . . 0.529 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.82 0.819 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.88 142.98 36.48 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.523 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.36 38.7 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.968 -1.083 . . . . 0.0 109.535 179.196 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.21 28.54 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.572 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.36 18.94 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.101 -1.0 . . . . 0.0 108.425 178.306 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.87 144.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.58 136.61 36.86 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.007 0.908 . . . . 0.0 110.178 177.165 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -85.0 114.34 25.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 105.326 -2.101 . . . . 0.0 105.326 177.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.88 -4.29 19.35 Favored 'General case' 0 C--N 1.265 -3.075 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.717 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 310' ' ' ALA . . . . . 0.813 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.58 141.84 85.66 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 119.686 -1.884 . . . . 0.0 110.564 178.76 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.43 -47.76 12.62 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 124.731 3.62 . . . . 0.0 114.115 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -102.12 27.53 6.57 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 116.125 -2.23 . . . . 0.0 108.746 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.02 -143.36 47.23 Favored Glycine 0 N--CA 1.497 2.758 0 C-N-CA 117.62 -2.229 . . . . 0.0 109.576 -179.088 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 314' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.6 tp -88.46 73.3 8.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.942 -1.328 . . . . 0.0 109.493 -177.22 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -65.73 176.67 1.47 Allowed 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 117.856 -1.538 . . . . 0.0 112.183 -178.524 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 316' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.5 p -41.26 -66.85 0.29 Allowed 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 -176.812 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 317' ' ' ARG . . . . . 0.53 ' N ' ' OG1' ' D' ' 316' ' ' THR . 1.7 tmt_? -56.32 -51.27 82.27 Favored Pre-proline 0 N--CA 1.493 1.684 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.525 -177.521 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 318' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.7 Cg_endo -64.42 -32.23 60.6 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 CA-C-N 119.3 0.786 . . . . 0.0 111.426 -178.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 319' ' ' ALA . . . . . 0.468 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.78 86.66 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.284 -0.885 . . . . 0.0 109.529 -179.364 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 320' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -71.02 -39.71 72.21 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.863 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -63.94 -39.42 94.1 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.042 -1.463 . . . . 0.0 109.492 177.118 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.71 -45.3 93.41 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.614 1.197 . . . . 0.0 108.672 -177.877 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 323' ' ' VAL . . . . . 0.468 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.3 t -62.69 -42.23 95.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.618 -179.548 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.87 -40.27 96.15 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.731 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.81 -39.74 79.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 109.565 178.02 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.99 91.62 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.657 -1.277 . . . . 0.0 109.439 178.558 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.42 -16.13 43.71 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.53 86.14 Favored Glycine 0 N--CA 1.479 1.553 0 O-C-N 119.931 -1.731 . . . . 0.0 109.347 179.083 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.35 32.83 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.338 -1.684 . . . . 0.0 109.98 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.1 p -75.61 -30.13 59.46 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.313 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.66 158.53 9.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 119.817 -1.802 . . . . 0.0 112.841 -179.227 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.24 35.39 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 102.792 -3.04 . . . . 0.0 102.792 171.242 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.72 136.56 60.45 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.41 0 CA-C-O 122.163 0.982 . . . . 0.0 109.351 -178.347 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.93 143.16 51.01 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-O 123.121 1.439 . . . . 0.0 110.033 178.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.1 t -108.05 129.97 61.34 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.737 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 173.071 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 336' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.7 m -127.47 119.53 26.31 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.87 -1.144 . . . . 0.0 108.909 -178.369 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.6 122.62 39.29 Favored 'General case' 0 N--CA 1.5 2.072 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.884 177.439 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.5 t30 51.72 38.9 24.14 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.851 -1.155 . . . . 0.0 112.792 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.71 11.03 83.47 Favored Glycine 0 N--CA 1.501 3.013 0 O-C-N 119.944 -1.722 . . . . 0.0 112.491 177.262 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.9 136.26 54.57 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 177.522 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.74 158.54 33.02 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-O 123.751 1.739 . . . . 0.0 112.416 -175.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.36 31.31 Favored 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 112.513 -2.13 . . . . 0.0 108.579 177.487 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.58 135.91 48.84 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.519 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.92 -6.74 47.21 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.737 -1.227 . . . . 0.0 110.739 179.274 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.56 12.96 31.69 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.605 -1.309 . . . . 0.0 109.32 -177.806 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.8 p -133.05 104.17 6.4 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 122.199 1.0 . . . . 0.0 110.146 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 347' ' ' LEU . . . . . 0.533 HD22 ' CE ' ' A' ' 9' ' ' MET . 56.9 tp -57.2 -38.0 73.02 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.891 178.275 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.87 -51.32 70.52 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.637 -1.29 . . . . 0.0 113.07 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.39 70.38 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 119.537 -1.977 . . . . 0.0 109.2 -178.333 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.79 75.88 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.921 -177.515 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -67.65 -10.5 52.74 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.67 -0.644 . . . . 0.0 109.92 -177.537 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.3 p -89.71 -7.77 53.82 Favored 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 118.117 -1.433 . . . . 0.0 110.917 -178.416 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.1 mt -93.37 159.28 15.33 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.221 -0.924 . . . . 0.0 110.163 -178.505 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.91 2.97 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 106.846 -2.501 . . . . 0.0 106.846 177.103 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.1 mt -119.68 47.47 1.71 Allowed 'General case' 0 C--N 1.308 -1.2 0 O-C-N 120.694 -1.474 . . . . 0.0 107.403 -178.682 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 61.9 p -81.5 172.52 13.4 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.836 -1.145 . . . . 0.0 109.155 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.71 140.91 57.35 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.901 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.47 -3.25 78.87 Favored Glycine 0 N--CA 1.501 2.986 0 C-N-CA 119.968 -1.111 . . . . 0.0 111.325 177.72 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.45 136.01 34.02 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.842 -1.387 . . . . 0.0 110.58 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 91.2 t -96.65 123.77 49.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 176.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.14 160.11 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.317 0 C-N-CA 117.424 -1.71 . . . . 0.0 110.635 178.658 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 362' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.95 128.41 54.91 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.497 -1.377 . . . . 0.0 107.552 175.441 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 363' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.9 121.43 60.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 176.354 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.66 147.25 50.73 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 -179.523 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.78 153.45 47.14 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 118.5 -1.28 . . . . 0.0 109.684 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 366' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.72 6.4 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 118.538 -1.265 . . . . 0.0 108.071 178.187 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.29 -170.29 40.17 Favored Glycine 0 C--N 1.296 -1.677 0 C-N-CA 117.971 -2.062 . . . . 0.0 110.345 178.647 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.39 -40.63 82.89 Favored 'General case' 0 C--N 1.275 -2.658 0 CA-C-N 114.445 -0.878 . . . . 0.0 112.163 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.06 36.8 3.54 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 115.906 -2.318 . . . . 0.0 108.621 -178.69 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.49 65.78 Favored 'General case' 0 N--CA 1.521 3.114 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -174.049 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 371' ' ' GLN . . . . . 0.44 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.9 -45.77 26.82 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.597 -1.939 . . . . 0.0 110.919 -176.526 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' D' D ' 372' ' ' LYS . . . . . 0.762 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.64 97.59 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.264 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.47 77.74 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 117.481 -1.688 . . . . 0.0 110.057 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.93 -42.16 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-O 122.176 0.988 . . . . 0.0 109.277 -178.137 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.84 -47.87 76.5 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-O 122.085 0.945 . . . . 0.0 108.82 -178.352 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 376' ' ' HIS . . . . . 0.762 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.83 -38.28 76.49 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.699 -178.729 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 377' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.1 mt -75.7 -28.54 58.65 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.42 -1.425 . . . . 0.0 110.846 -174.23 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.51 -39.51 70.71 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.428 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.28 62.92 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.26 -45.14 84.28 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.565 177.575 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.4 -37.39 85.59 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.941 -1.099 . . . . 0.0 111.468 -177.468 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.06 -1.025 . . . . 0.0 110.285 -178.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.87 -32.3 45.9 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.548 -0.72 . . . . 0.0 111.387 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.03 125.52 12.3 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 124.292 1.996 . . . . 0.0 112.911 178.618 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 385' ' ' GLU . . . . . 0.813 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 47.6 mt-10 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.126 -2.761 . . . . 0.0 110.097 -177.545 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.7 mt . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.23 -46.7 79.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.915 0.388 . . . . 0.0 110.309 179.489 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.46 -35.03 77.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.257 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.415 ' CG1' HD11 ' A' ' 58' ' ' LEU . 87.7 t -64.56 -42.87 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.384 -179.812 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 4' ' ' LEU . 86.5 t -60.81 -43.84 96.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.977 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.533 ' CE ' HD22 ' D' ' 347' ' ' LEU . 93.2 mtp -59.33 -41.03 88.18 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.2 -42.12 96.53 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 mt -63.31 -42.34 99.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.15 179.604 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.34 -44.08 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.704 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.524 HD11 ' HB1' ' D' ' 320' ' ' ALA . 83.7 mt -63.2 -44.09 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.988 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.33 -45.52 94.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.82 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 t -60.64 -44.01 96.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.002 179.554 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.21 -43.03 97.66 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.73 -45.13 94.14 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.43 79.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.859 179.413 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.643 ' NH2' ' CZ ' ' A' ' 23' ' ' TYR . 77.4 ttt-85 -60.29 -47.27 86.72 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.589 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -54.78 -43.81 73.15 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.34 -43.2 98.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.687 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.615 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.38 -50.2 74.88 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.643 ' CZ ' ' NH2' ' A' ' 19' ' ' ARG . 8.0 m-85 -59.51 -42.44 92.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.532 179.508 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.19 93.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.785 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -42.73 83.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.68 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.39 -44.75 96.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.451 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -56.11 -42.17 76.39 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.09 -41.49 96.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.743 179.161 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.65 94.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.698 179.263 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.07 -29.54 69.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.145 179.067 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -80.51 -4.72 54.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.499 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.9 14.18 73.16 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.61 79.73 2.75 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 120.729 0.3 . . . . 0.0 110.331 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -65.23 -34.72 79.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.66 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.36 -49.42 73.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.083 0.468 . . . . 0.0 110.747 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.67 81.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.381 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.85 -48.5 78.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -60.09 -42.98 95.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.632 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.19 94.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.78 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -64.94 -41.53 95.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.493 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.528 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 98.5 mmm -63.13 -40.19 96.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.606 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -62.32 -43.99 97.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.024 0.44 . . . . 0.0 110.621 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.64 -40.45 96.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.206 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.7 p -61.74 -45.44 93.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.532 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -59.79 -42.94 94.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.247 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.0 ttp -60.38 -44.41 95.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.215 0.531 . . . . 0.0 110.593 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.96 99.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.25 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.31 -40.69 96.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.683 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 49' ' ' ASN . 51.1 t-20 -60.7 -41.69 95.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.302 -179.511 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.72 -40.3 95.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.071 0.463 . . . . 0.0 110.265 179.437 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.26 78.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.486 179.403 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.575 ' O ' HG23 ' A' ' 56' ' ' THR . 59.9 t-80 -60.98 -39.0 87.97 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.437 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.482 ' O ' ' OG1' ' A' ' 56' ' ' THR . 40.2 mt -60.66 -44.3 96.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.9 t -65.08 -43.36 95.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.02 0.438 . . . . 0.0 110.066 178.716 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.756 ' NE2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -58.87 -44.85 91.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.207 -179.882 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 52' ' ' HIS . 40.5 p -58.07 -39.54 78.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.983 -179.519 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -64.07 -40.48 96.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.4 . . . . 0.0 110.504 179.473 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' A' ' 4' ' ' LEU . 96.0 mt -64.29 -29.92 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.638 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.756 HD11 ' NE2' ' A' ' 55' ' ' GLN . 96.7 mt -78.29 -30.76 15.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.772 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 179.808 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 71' ' ' SER . 20.1 m . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.435 ' N ' HG23 ' A' ' 70' ' ' VAL . 83.8 p -133.13 167.59 20.06 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 178.462 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 tp -56.73 -43.4 80.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.626 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG13 HG21 ' A' ' 8' ' ' VAL . 69.3 t -62.72 -44.96 99.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.532 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.46 -40.19 93.61 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.002 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.43 -47.03 92.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.172 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -58.11 -46.15 86.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.789 0.328 . . . . 0.0 110.301 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.37 98.86 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.817 0.341 . . . . 0.0 110.636 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -61.78 -39.62 92.31 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.139 179.683 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 83' ' ' THR . 42.5 tp -58.39 -46.63 86.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.364 -179.121 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -67.68 -48.45 66.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.689 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.24 -44.94 96.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.81 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.0 -42.63 99.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.228 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.1 p -64.82 -46.12 83.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.117 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.44 -49.56 74.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.56 -47.89 80.82 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.514 -179.282 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.89 -44.64 96.39 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.088 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.43 80.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.86 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -58.73 -45.18 90.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.141 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.579 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 97.4 mt-10 -60.91 -44.16 97.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.078 -179.678 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.41 -42.92 95.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.216 0.531 . . . . 0.0 109.851 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.615 HD12 ' HB1' ' A' ' 22' ' ' ALA . 74.0 mt -59.95 -42.18 88.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.29 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.528 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 18.1 m -57.1 -45.51 83.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.037 0.446 . . . . 0.0 109.949 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.3 -43.89 96.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.254 0.549 . . . . 0.0 109.569 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 85.5 mt -59.87 -43.71 94.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.89 -43.13 97.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.468 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.403 ' HG2' ' NZ ' ' A' ' 100' ' ' LYS . 81.9 tt0 -61.8 -39.6 92.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.749 179.302 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 97' ' ' LEU . 36.5 mt -62.1 -41.52 98.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.84 179.616 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.6 m80 -59.25 -38.97 81.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.204 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -61.44 -39.81 92.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.168 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.403 ' NZ ' ' HG2' ' A' ' 96' ' ' GLU . 61.4 mttp -63.5 -39.15 93.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.199 179.589 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.8 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.464 179.8 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.679 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.7 mt . . . . . 0 N--CA 1.456 -0.16 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.17 -46.72 79.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.929 0.395 . . . . 0.0 110.335 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -68.27 -35.04 77.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.245 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.416 ' CG1' HD11 ' B' ' 58' ' ' LEU . 86.0 t -64.7 -42.98 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.348 -179.768 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 4' ' ' LEU . 87.9 t -60.81 -43.74 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.869 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.46 -41.12 88.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.39 96.88 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.105 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' B' ' 11' ' ' LEU . 36.2 mt -63.07 -42.36 99.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.347 . . . . 0.0 110.376 179.545 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.44 -44.01 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.676 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.27 -44.35 99.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.887 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.05 -45.61 94.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.887 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 35.8 t -60.61 -43.93 96.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.067 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.18 -42.98 97.75 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -62.79 -45.49 92.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.97 -48.71 77.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.892 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.643 ' NH2' ' CZ ' ' B' ' 23' ' ' TYR . 77.4 ttt-85 -60.0 -47.22 86.71 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -54.83 -43.98 73.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.14 -43.21 98.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.7 179.022 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.616 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.4 -50.15 75.06 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.751 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 23' ' ' TYR . . . . . 0.643 ' CZ ' ' NH2' ' B' ' 19' ' ' ARG . 8.0 m-85 -59.53 -42.51 92.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.686 179.402 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.05 93.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.753 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.98 83.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.658 179.036 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.14 -45.22 95.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.314 179.104 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -55.76 -42.22 75.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.782 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.95 -41.49 96.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.88 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.69 94.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.689 179.269 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.09 -29.54 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.089 179.091 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -80.67 -4.6 54.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.336 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.05 13.99 73.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.52 79.72 2.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 110.275 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -65.45 -34.76 79.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.596 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.78 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.0 0.428 . . . . 0.0 110.841 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.08 -35.57 80.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.416 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.18 79.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.576 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -60.23 -43.03 96.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.76 0.314 . . . . 0.0 110.58 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.47 95.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.669 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.3 mmm -64.86 -41.18 95.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' MET . . . . . 0.524 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.4 mmm -63.59 -39.84 95.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.532 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -62.76 -43.89 97.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.468 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.65 -40.47 96.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.353 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.4 p -61.69 -45.35 94.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.465 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.0 -42.85 95.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.22 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 64.9 ttp -60.41 -44.29 95.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.251 0.548 . . . . 0.0 110.609 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.32 -42.35 99.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.198 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.99 -40.55 95.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.71 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 49' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 51.2 t-20 -60.41 -41.81 94.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.376 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.97 -40.21 94.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.156 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.79 -45.27 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.424 179.371 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 52' ' ' HIS . . . . . 0.583 ' O ' HG23 ' B' ' 56' ' ' THR . 59.9 t-80 -60.99 -39.05 88.19 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 53' ' ' LEU . . . . . 0.483 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.5 mt -60.5 -44.19 96.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.387 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.46 -43.18 94.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.069 0.462 . . . . 0.0 110.037 178.73 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.748 ' NE2' HD11 ' B' ' 59' ' ' ILE . 0.0 OUTLIER -58.89 -44.95 91.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.275 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.583 HG23 ' O ' ' B' ' 52' ' ' HIS . 40.7 p -58.0 -39.95 79.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.934 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -63.6 -40.75 97.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.979 0.419 . . . . 0.0 110.555 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.445 HD22 ' CD2' ' B' ' 4' ' ' LEU . 96.0 mt -63.99 -29.96 71.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.703 -179.671 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 59' ' ' ILE . . . . . 0.748 HD11 ' NE2' ' B' ' 55' ' ' GLN . 96.7 mt -78.28 -30.73 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.822 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 120.839 0.352 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 89.3 p -132.39 168.56 17.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.594 -178.632 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.83 -43.1 90.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.551 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.507 HG13 HG21 ' B' ' 8' ' ' VAL . 66.8 t -61.93 -44.64 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.593 -178.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.62 -39.47 91.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.088 0.471 . . . . 0.0 110.957 -178.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 51.1 t -59.84 -47.1 92.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.258 -179.175 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.79 -45.42 89.88 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.362 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.34 98.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.953 0.406 . . . . 0.0 110.456 179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -61.91 -39.57 92.46 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.181 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' B' ' 83' ' ' THR . 42.8 tp -58.34 -46.66 85.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.401 -179.221 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.8 -48.11 67.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.693 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.74 -44.8 96.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 -179.102 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.8 -43.11 99.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.253 -179.416 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.3 p -64.35 -46.33 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.149 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -62.17 -49.8 74.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.605 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -57.25 -47.84 80.36 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.438 -179.412 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.03 -44.64 96.27 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.11 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.79 78.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.926 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -58.54 -45.11 89.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.214 -179.564 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 97.9 mt-10 -60.99 -44.26 97.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.213 -179.763 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.26 -42.62 96.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.095 0.474 . . . . 0.0 110.073 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.616 HD12 ' HB1' ' B' ' 22' ' ' ALA . 74.7 mt -60.26 -41.83 88.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.251 179.838 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.524 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 18.0 m -57.37 -45.55 84.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.115 0.483 . . . . 0.0 109.913 179.469 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.51 -43.59 96.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.462 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.569 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 85.9 mt -59.88 -43.77 94.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.97 -43.29 97.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.504 179.354 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 96' ' ' GLU . . . . . 0.406 ' HG2' ' NZ ' ' B' ' 100' ' ' LYS . 81.3 tt0 -61.66 -39.9 92.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.671 179.431 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.3 mt -61.89 -41.41 97.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.77 179.655 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.7 m80 -59.33 -39.09 82.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.263 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.18 -40.03 92.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.037 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 100' ' ' LYS . . . . . 0.406 ' NZ ' ' HG2' ' B' ' 96' ' ' GLU . 61.5 mttp -63.37 -38.97 93.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.231 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.331 179.709 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 4' ' ' LEU . . . . . 0.663 ' O ' HG23 ' C' ' 8' ' ' VAL . 94.8 mt . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.594 0.235 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.17 -46.4 80.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.838 0.351 . . . . 0.0 110.362 179.537 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -68.67 -34.97 76.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.278 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 7' ' ' VAL . . . . . 0.414 ' CG1' HD11 ' C' ' 58' ' ' LEU . 89.1 t -64.69 -42.77 95.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 -179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 8' ' ' VAL . . . . . 0.663 HG23 ' O ' ' C' ' 4' ' ' LEU . 89.7 t -60.85 -43.67 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.033 179.653 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mtp -59.63 -40.7 88.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.26 -42.59 96.16 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 179.063 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 11' ' ' LEU . 36.5 mt -62.8 -42.55 99.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.368 179.593 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.06 -44.04 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.7 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 83.5 mt -63.29 -44.31 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.039 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.09 -45.45 94.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.82 179.672 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t -60.64 -44.13 96.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.179 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.75 -43.19 98.12 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -62.9 -45.02 94.48 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.5 -48.49 79.1 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 19' ' ' ARG . . . . . 0.637 ' NH2' ' CZ ' ' C' ' 23' ' ' TYR . 77.7 ttt-85 -60.21 -47.23 86.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.75 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -54.96 -43.93 73.9 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.18 -43.08 99.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.682 179.119 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 22' ' ' ALA . . . . . 0.616 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.54 -50.16 74.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 23' ' ' TYR . . . . . 0.637 ' CZ ' ' NH2' ' C' ' 19' ' ' ARG . 8.0 m-85 -59.51 -42.62 92.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.519 179.485 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.71 92.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.731 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.99 -42.64 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.658 179.19 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.19 -45.14 95.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.426 178.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -55.92 -42.31 75.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.93 -41.47 96.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.924 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.55 93.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.819 179.073 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.57 -29.41 70.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.119 179.095 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -80.29 -4.65 54.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.465 179.672 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.7 14.17 73.76 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.51 79.9 2.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.794 0.331 . . . . 0.0 110.209 179.591 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -65.49 -34.75 79.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.493 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.0 72.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.059 0.457 . . . . 0.0 110.68 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.57 81.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.408 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.62 77.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.407 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -59.69 -43.22 94.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.588 -179.57 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.58 95.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -64.94 -41.39 95.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 41' ' ' MET . . . . . 0.54 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 98.3 mmm -63.25 -40.18 96.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.622 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -62.52 -43.91 97.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.876 0.369 . . . . 0.0 110.4 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.63 -40.31 96.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.271 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 44' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.1 p -62.0 -45.37 93.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 -179.818 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -59.85 -42.85 94.55 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.352 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.28 -44.38 95.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.313 0.578 . . . . 0.0 110.577 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.78 99.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.325 179.807 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 48' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' C' ' 48' ' ' LEU . 92.5 mt -64.42 -40.42 95.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.698 179.268 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -60.99 -41.57 96.73 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.277 -179.547 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -64.74 -40.75 95.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.028 179.429 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.24 80.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.439 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 52' ' ' HIS . . . . . 0.589 ' O ' HG23 ' C' ' 56' ' ' THR . 60.0 t-80 -61.2 -38.89 88.18 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.346 -179.819 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 53' ' ' LEU . . . . . 0.495 ' O ' ' OG1' ' C' ' 56' ' ' THR . 39.2 mt -60.83 -44.19 97.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.235 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 66.1 t -65.36 -43.22 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.045 0.45 . . . . 0.0 109.927 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 55' ' ' GLN . . . . . 0.765 ' NE2' HD11 ' C' ' 59' ' ' ILE . 0.0 OUTLIER -58.88 -45.09 91.03 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.275 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 56' ' ' THR . . . . . 0.589 HG23 ' O ' ' C' ' 52' ' ' HIS . 41.3 p -57.88 -39.44 77.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.197 -179.729 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -64.26 -40.56 96.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.445 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 58' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' C' ' 4' ' ' LEU . 96.1 mt -63.82 -30.21 71.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.768 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 59' ' ' ILE . . . . . 0.765 HD11 ' NE2' ' C' ' 55' ' ' GLN . 96.8 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 C--O 1.226 -0.141 0 CA-C-O 121.036 0.446 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 50.2 tp -58.86 -44.12 90.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.653 -177.617 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 73' ' ' VAL . . . . . 0.508 HG13 HG21 ' C' ' 8' ' ' VAL . 62.7 t -62.54 -44.85 99.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 130.06 3.344 . . . . 0.0 110.633 -178.052 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.58 -39.29 94.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 177.682 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.03 -48.0 89.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.193 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.41 -45.86 87.57 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.45 98.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.864 0.364 . . . . 0.0 110.363 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -61.61 -39.59 91.79 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.316 179.295 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 79' ' ' LEU . . . . . 0.493 ' O ' HG23 ' C' ' 83' ' ' THR . 41.7 tp -58.38 -46.58 86.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.47 -179.209 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.82 -48.23 66.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.74 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.49 -44.99 96.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.808 -179.145 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.7 -42.94 99.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.334 -179.375 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 83' ' ' THR . . . . . 0.493 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.4 p -64.61 -46.31 83.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.114 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.24 -49.63 74.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.573 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.2 -47.79 80.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.701 0.286 . . . . 0.0 110.468 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.18 -44.68 96.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.411 . . . . 0.0 110.166 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.63 -48.83 78.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.0 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 67.2 ttt-85 -58.61 -45.1 89.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.261 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.61 -44.54 96.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.193 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.22 -42.82 96.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.139 0.495 . . . . 0.0 109.992 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 91' ' ' ILE . . . . . 0.616 HD12 ' HB1' ' C' ' 22' ' ' ALA . 75.8 mt -60.12 -41.87 88.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.419 179.79 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 92' ' ' THR . . . . . 0.54 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 17.3 m -57.43 -45.37 84.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.037 0.446 . . . . 0.0 109.957 179.43 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.6 -43.71 96.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.499 179.278 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 85.5 mt -59.86 -43.66 94.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.85 -43.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.541 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.54 -39.76 92.23 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.98 -41.4 97.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.877 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 65.2 m80 -59.37 -39.04 82.03 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.186 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -61.3 -39.9 92.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.106 179.584 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -63.52 -38.83 92.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.16 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.302 179.765 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.521 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.867 0.841 . . . . 0.0 108.947 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.78 143.04 36.71 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.34 38.67 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.011 -1.056 . . . . 0.0 109.582 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.21 28.52 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.29 18.99 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.061 -1.025 . . . . 0.0 108.414 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.35 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.73 136.62 37.01 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 122.161 0.982 . . . . 0.0 110.101 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.5 mt -84.9 114.27 24.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.91 -4.22 19.39 Favored 'General case' 0 C--N 1.265 -3.105 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.819 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.81 85.78 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.637 -1.914 . . . . 0.0 110.645 178.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.43 -47.72 12.68 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 124.808 3.672 . . . . 0.0 114.17 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -102.14 27.61 6.51 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 116.049 -2.26 . . . . 0.0 108.783 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.49 -141.0 47.62 Favored Glycine 0 N--CA 1.496 2.689 0 C-N-CA 117.709 -2.186 . . . . 0.0 109.599 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.4 tp -89.76 64.77 6.59 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.975 -1.309 . . . . 0.0 109.531 -177.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 315' ' ' HIS . . . . . 0.505 ' HE1' ' OXT' ' D' ' 385' ' ' GLU . 0.7 OUTLIER -53.79 177.94 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.144 -178.063 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.559 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.0 OUTLIER -45.77 -65.95 0.47 Allowed 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -176.575 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.559 ' N ' ' OG1' ' D' ' 316' ' ' THR . 5.4 tmm_? -56.47 -49.95 90.52 Favored Pre-proline 0 N--CA 1.492 1.658 0 C-N-CA 120.163 -0.615 . . . . 0.0 112.522 -177.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.1 -32.19 64.22 Favored 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 120.577 0.851 . . . . 0.0 111.497 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.476 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.84 86.85 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.529 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.447 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -71.0 -39.65 72.3 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.94 -39.44 94.16 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.004 -1.478 . . . . 0.0 109.478 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.67 -45.3 93.43 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 122.638 1.208 . . . . 0.0 108.722 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.607 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 53.2 t -62.62 -42.27 95.34 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.216 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.676 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.9 -40.27 96.1 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.708 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.81 -39.64 79.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.436 -0.79 . . . . 0.0 109.59 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.06 91.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.573 -1.329 . . . . 0.0 109.454 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 327' ' ' LYS . . . . . 0.607 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.0 mttp -61.24 -16.18 42.55 Favored 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.91 -10.61 86.09 Favored Glycine 0 N--CA 1.48 1.585 0 O-C-N 119.941 -1.725 . . . . 0.0 109.252 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.412 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.3 32.87 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.229 -1.747 . . . . 0.0 109.978 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.52 -30.11 59.69 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.236 -0.915 . . . . 0.0 112.381 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.78 158.56 10.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 119.833 -1.792 . . . . 0.0 112.837 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.25 35.4 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 102.774 -3.047 . . . . 0.0 102.774 171.289 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.78 136.59 60.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-O 122.271 1.034 . . . . 0.0 109.302 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.8 m -124.94 143.18 51.01 Favored 'General case' 0 C--N 1.286 -2.173 0 CA-C-O 123.108 1.432 . . . . 0.0 109.997 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.4 t -108.02 129.94 61.36 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.719 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.5 m -127.45 119.54 26.34 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.85 -1.157 . . . . 0.0 108.917 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.53 122.62 39.32 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.881 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.5 t30 51.75 38.92 24.27 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.865 -1.147 . . . . 0.0 112.797 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.72 10.93 83.59 Favored Glycine 0 N--CA 1.502 3.038 0 O-C-N 119.896 -1.752 . . . . 0.0 112.585 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.84 136.28 54.54 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 69.1 m -124.81 158.59 33.01 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.767 1.746 . . . . 0.0 112.393 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.39 31.35 Favored 'General case' 0 C--N 1.278 -2.533 0 CA-C-N 112.492 -2.14 . . . . 0.0 108.598 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.67 135.96 48.71 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.98 -6.7 47.13 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.685 -1.259 . . . . 0.0 110.716 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.59 13.03 31.51 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.639 -1.288 . . . . 0.0 109.383 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.6 t -133.1 104.14 6.37 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 122.159 0.98 . . . . 0.0 110.14 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.6 tp -57.27 -37.9 73.07 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.95 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -58.82 -51.43 70.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.594 -1.316 . . . . 0.0 113.079 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.45 70.61 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 119.582 -1.949 . . . . 0.0 109.172 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.8 -33.74 75.83 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.932 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.511 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 67.2 tp60 -67.66 -10.42 52.09 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.594 -0.691 . . . . 0.0 109.979 -177.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 41.7 p -89.79 -7.73 53.74 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 118.157 -1.417 . . . . 0.0 110.937 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.9 mt -93.37 159.27 15.33 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.222 -0.924 . . . . 0.0 110.233 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.81 2.96 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 106.965 -2.454 . . . . 0.0 106.965 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 90.5 mt -119.55 47.32 1.73 Allowed 'General case' 0 C--N 1.308 -1.209 0 O-C-N 120.661 -1.494 . . . . 0.0 107.402 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.57 ' CG2' HG21 ' C' ' 56' ' ' THR . 62.0 p -81.43 172.54 13.41 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.184 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.68 140.95 57.29 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.829 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.19 78.99 Favored Glycine 0 N--CA 1.502 3.039 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.329 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.5 135.96 34.02 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.904 -1.351 . . . . 0.0 110.641 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.5 123.64 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.14 160.11 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 117.365 -1.734 . . . . 0.0 110.716 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.87 128.39 54.87 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.544 -1.347 . . . . 0.0 107.568 175.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.86 121.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.26 50.72 Favored 'General case' 0 C--N 1.286 -2.185 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.42 47.17 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 118.531 -1.268 . . . . 0.0 109.717 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.521 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.76 6.41 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.012 178.2 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.34 40.17 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 118.0 -2.048 . . . . 0.0 110.356 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.66 82.66 Favored 'General case' 0 C--N 1.275 -2.658 0 CA-C-N 114.41 -0.895 . . . . 0.0 112.232 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -113.99 36.79 3.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 118.966 -2.334 . . . . 0.0 108.566 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.4 -33.56 65.89 Favored 'General case' 0 N--CA 1.522 3.126 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 -174.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.437 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.7 27.38 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 119.606 -1.934 . . . . 0.0 110.982 -176.573 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.763 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.46 -40.69 97.8 Favored 'General case' 0 C--N 1.284 -2.245 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.51 77.58 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.466 -1.693 . . . . 0.0 110.062 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.8 -42.24 88.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 CA-C-O 122.2 1.0 . . . . 0.0 109.264 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.91 -47.87 76.68 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-O 122.029 0.919 . . . . 0.0 108.725 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.763 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.82 -38.3 76.51 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.675 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.439 HD22 ' CE1' ' D' ' 322' ' ' PHE . 79.9 mt -75.69 -28.55 58.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.276 -1.515 . . . . 0.0 110.86 -174.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.55 -39.49 70.32 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.378 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.14 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.22 -45.17 84.1 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 118.973 -1.091 . . . . 0.0 110.596 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.39 -37.37 85.51 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.92 -1.113 . . . . 0.0 111.517 -177.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.71 61.57 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.087 -1.008 . . . . 0.0 110.291 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.98 -32.25 45.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.456 -0.777 . . . . 0.0 111.336 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.08 125.48 12.31 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 124.275 1.988 . . . . 0.0 112.886 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.819 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 96.6 mt-10 . . . . . 0 C--N 1.277 -2.579 0 CA-C-N 111.165 -2.743 . . . . 0.0 110.121 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -55.0 -177.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.572 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 6' ' ' GLU . 48.1 tp10 -58.43 -81.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.484 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 8' ' ' VAL . 53.1 mt -38.02 -36.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.434 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -64.65 -46.68 81.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.851 0.358 . . . . 0.0 110.276 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' GLU . 80.3 tt0 -67.78 -35.1 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.241 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.71 -42.24 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.284 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 4' ' ' LEU . 72.2 t -60.21 -44.46 95.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.907 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -58.47 -41.2 84.69 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.77 98.33 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.348 -1.101 . . . . 0.0 110.348 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.452 HD13 ' OE1' ' A' ' 55' ' ' GLN . 30.3 mt -62.92 -42.57 99.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.185 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.3 -44.4 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.722 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.447 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.4 mt -63.11 -44.06 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.957 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.3 -45.82 92.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.802 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -60.43 -44.81 95.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.027 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.49 -41.95 99.11 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -63.7 -43.7 95.82 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.31 -48.72 79.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.882 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.73 -46.35 90.76 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.0 t -54.46 -44.93 72.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.23 -43.01 99.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.741 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.582 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.46 -49.78 76.48 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -59.14 -43.37 92.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.553 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.72 88.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.815 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.08 88.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.693 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.41 -46.2 91.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.468 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.81 -43.03 72.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 21.6 mm-40 -60.14 -41.4 92.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.794 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.08 92.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.657 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.81 -29.7 69.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.119 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.48 -4.43 57.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.377 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.38 17.73 65.94 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -99.79 78.43 2.13 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.744 0.307 . . . . 0.0 110.241 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.38 -34.23 77.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.71 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.9 76.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.078 0.466 . . . . 0.0 110.782 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.5 -35.11 79.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.357 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.24 84.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -61.6 -42.2 98.52 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.69 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.8 mtt -65.56 -41.93 92.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.457 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.484 ' SD ' HD12 ' A' ' 95' ' ' ILE . 72.5 mtm -63.63 -41.66 98.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.613 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.84 -45.56 93.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.554 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.57 -39.59 94.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.205 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.7 t -61.4 -46.21 91.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.55 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 72.0 ttt180 -60.15 -42.51 95.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.306 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.38 -44.54 95.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.196 0.522 . . . . 0.0 110.582 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.52 98.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.206 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.406 HD21 ' CB ' ' A' ' 18' ' ' ALA . 94.1 mt -64.97 -40.15 94.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.665 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.35 -41.84 97.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.278 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.54 -40.05 92.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.182 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.55 -45.35 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.439 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.25 -39.57 87.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.395 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.3 mt -60.33 -45.16 94.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.328 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.82 -43.53 96.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.012 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.504 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 67.7 tp60 -59.12 -44.37 92.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.278 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -55.71 -43.59 76.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.047 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.38 -41.78 97.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.923 0.392 . . . . 0.0 110.572 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.0 mt -65.99 -38.21 87.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.85 -39.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.855 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -73.4 -31.53 63.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.47 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.73 155.33 0.38 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -93.37 -21.41 19.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.551 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.46 140.51 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.66 -74.59 1.26 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 65' ' ' GLU . 12.1 pt-20 -66.26 126.18 27.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.686 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.86 20.76 72.9 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -55.83 130.08 42.05 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.692 0.282 . . . . 0.0 110.469 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.8 mtp -84.44 140.8 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.578 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -88.71 -73.98 0.48 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.916 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -110.03 132.25 58.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.706 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.512 ' O ' HG23 ' A' ' 75' ' ' VAL . 10.7 p -131.4 163.83 27.03 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.7 mt -57.76 -43.17 85.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.614 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.607 HG13 HG21 ' A' ' 8' ' ' VAL . 75.6 t -64.17 -46.62 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.874 0.369 . . . . 0.0 110.61 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.46 -41.17 98.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.044 0.45 . . . . 0.0 110.881 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 71' ' ' SER . 53.1 t -59.49 -47.0 92.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.216 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.93 -46.28 88.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.836 0.35 . . . . 0.0 110.314 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.504 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.58 -42.7 95.44 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.628 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.49 -40.94 98.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.136 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 83' ' ' THR . 47.5 tp -57.65 -45.81 85.02 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.336 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -67.37 -46.58 72.9 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.747 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.56 -45.51 93.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.849 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -62.32 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.164 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.1 p -64.24 -46.66 82.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.091 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 79.7 p -61.91 -49.67 75.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 tpp -57.74 -47.85 81.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.499 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.31 -44.63 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.107 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.98 79.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.86 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.41 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 65.1 ttt-85 -58.46 -45.2 89.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.148 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -60.53 -44.86 95.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.071 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.2 mt -64.24 -42.47 96.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.114 0.483 . . . . 0.0 109.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.582 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.4 mt -60.36 -42.1 89.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.294 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.92 -45.39 86.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.016 0.436 . . . . 0.0 109.895 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.1 -43.52 98.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.621 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.578 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 85.0 mt -60.05 -43.55 95.3 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.484 HD12 ' SD ' ' A' ' 41' ' ' MET . 88.6 mt -61.37 -43.11 96.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.32 -38.94 91.37 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 97' ' ' LEU . 36.3 mt -62.07 -41.36 98.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.904 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.2 m80 -60.34 -38.85 85.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.53 -39.28 87.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -64.07 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.219 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.0 mt -69.69 135.18 49.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.396 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 56.41 14.38 1.6 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.496 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.892 -1.052 . . . . 0.0 110.605 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -55.04 -177.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' B' ' 6' ' ' GLU . 47.7 tp10 -57.96 -81.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.99 0.424 . . . . 0.0 110.417 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.601 ' O ' HG23 ' B' ' 8' ' ' VAL . 53.5 mt -38.12 -36.63 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.483 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.54 -46.86 81.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.944 0.402 . . . . 0.0 110.288 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 3' ' ' GLU . 80.5 tt0 -67.29 -35.76 80.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.25 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.2 -42.29 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.305 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 4' ' ' LEU . 73.7 t -60.35 -44.21 95.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.846 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -58.83 -40.86 85.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.61 98.04 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.443 HD13 ' OE1' ' B' ' 55' ' ' GLN . 31.8 mt -63.0 -42.71 99.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.704 0.288 . . . . 0.0 110.309 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.32 -44.3 99.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.703 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.14 -44.13 99.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.938 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.23 -45.99 92.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.844 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -60.36 -44.83 95.2 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.104 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -42.09 99.46 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.136 -1.185 . . . . 0.0 110.136 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -63.53 -43.77 96.16 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.01 -49.34 77.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.839 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.37 -46.08 91.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -54.73 -44.9 73.94 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.28 -42.77 99.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.747 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.595 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.84 -49.63 76.95 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.07 -43.4 91.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.692 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.13 89.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.723 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.25 -42.81 87.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.671 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.79 -46.36 89.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.297 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.81 -43.05 72.59 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.406 ' HA ' ' NE2' ' B' ' 28' ' ' GLN . 21.3 mm-40 -60.01 -41.47 92.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.899 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.13 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.705 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.86 -29.82 69.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.053 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -82.48 -4.57 57.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.392 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.78 17.31 65.99 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.38 78.6 2.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.845 0.355 . . . . 0.0 110.307 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.63 -34.16 77.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.586 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.14 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.1 0.476 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.44 -35.1 79.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.349 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.22 85.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.523 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.77 -42.56 99.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.54 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.58 98.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.664 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.36 -41.81 93.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.507 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.0 mtm -63.85 -41.57 97.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.564 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -61.92 -45.23 94.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.426 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.94 -39.66 95.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.278 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -61.23 -46.27 91.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.528 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.404 ' HB2' ' NH2' ' B' ' 88' ' ' ARG . 71.1 ttt180 -60.22 -42.39 95.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.26 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.44 -44.79 95.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.316 0.579 . . . . 0.0 110.623 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.93 98.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.106 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' B' ' 18' ' ' ALA . 93.4 mt -65.36 -40.33 93.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.75 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.26 -41.95 97.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.334 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -65.41 -40.3 93.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.114 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.54 76.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.478 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.36 -39.39 87.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.262 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.28 -45.01 94.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.312 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.45 -42.81 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.04 0.448 . . . . 0.0 110.095 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.518 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 68.0 tp60 -59.54 -44.22 93.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.326 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -55.67 -44.07 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.953 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.99 -42.08 97.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.868 0.366 . . . . 0.0 110.529 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.71 -38.37 89.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.672 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.72 -39.17 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.73 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -73.55 -31.38 63.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.497 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.55 156.0 0.41 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -93.8 -21.44 19.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.361 . . . . 0.0 110.586 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.59 140.57 44.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.63 -74.68 1.27 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.01 126.41 28.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.568 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.71 20.78 73.31 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -55.79 130.71 44.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.604 0.24 . . . . 0.0 110.512 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mtp -85.02 141.36 30.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.692 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -89.45 -73.65 0.5 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.807 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p -111.16 131.41 62.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.794 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.539 ' O ' HG23 ' B' ' 75' ' ' VAL . 19.9 p -130.51 165.24 23.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.559 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 37.9 mt -59.6 -43.58 93.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.528 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.583 HG13 HG21 ' B' ' 8' ' ' VAL . 71.7 t -62.8 -46.18 96.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.591 -178.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.75 -40.67 97.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 71' ' ' SER . 53.2 t -59.61 -46.99 92.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.28 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.52 -46.05 89.97 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.346 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.518 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -64.38 -42.7 96.0 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.814 0.34 . . . . 0.0 110.378 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -63.45 -41.03 98.64 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.265 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 83' ' ' THR . 46.7 tp -57.77 -45.41 86.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.403 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -67.58 -46.5 72.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.703 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.88 -45.66 92.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.86 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.96 -43.06 99.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.263 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.483 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.8 p -64.33 -46.59 82.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.224 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 80.5 p -62.01 -49.57 75.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.661 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 8.7 tpp -57.74 -47.81 81.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.466 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.53 -44.39 96.46 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.091 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.66 -49.13 78.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.837 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.404 ' NH2' ' HB2' ' B' ' 45' ' ' ARG . 65.0 ttt-85 -58.3 -45.32 88.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.273 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.54 -44.84 95.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.15 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.26 -42.24 96.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.025 0.44 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.595 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.5 mt -60.45 -42.27 90.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.233 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.58 -45.81 84.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.134 0.493 . . . . 0.0 109.876 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.97 -43.47 98.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.439 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 84.4 mt -59.84 -43.69 94.47 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.507 HD12 ' SD ' ' B' ' 41' ' ' MET . 89.8 mt -61.36 -43.0 95.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.511 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -62.29 -38.81 90.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.787 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.8 mt -62.5 -41.12 98.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.801 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.9 m80 -60.27 -38.56 83.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.84 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.87 -39.78 90.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.107 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -63.75 -37.42 87.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.198 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 84.8 mt -69.24 135.18 50.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.343 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 68.7 mttm 56.24 14.49 1.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.942 -1.027 . . . . 0.0 110.54 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -55.7 -177.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.528 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' C' ' 6' ' ' GLU . 48.1 tp10 -57.99 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.618 ' O ' HG23 ' C' ' 8' ' ' VAL . 53.0 mt -38.2 -36.51 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.415 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.69 -47.02 79.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.319 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' C' ' 3' ' ' GLU . 80.1 tt0 -67.28 -35.11 78.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.297 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.71 -42.33 94.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.337 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.618 HG23 ' O ' ' C' ' 4' ' ' LEU . 69.7 t -60.19 -44.75 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.003 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -58.17 -41.14 83.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.13 -41.96 98.23 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.456 HD13 ' OE1' ' C' ' 55' ' ' GLN . 32.0 mt -62.56 -42.94 99.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.93 0.395 . . . . 0.0 110.347 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.01 -44.29 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.733 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.1 -44.07 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.071 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.41 -45.94 92.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.768 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.1 -44.77 94.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.113 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.44 -42.42 99.04 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -63.27 -43.97 96.43 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.37 76.86 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.23 -46.3 90.26 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.0 t -54.66 -45.02 73.78 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.17 -42.63 99.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.723 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.595 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.82 -49.88 75.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.02 -43.61 91.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.515 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.78 88.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.718 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.95 89.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.622 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.28 -46.68 89.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.394 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.69 -43.07 72.16 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLN . . . . . 0.419 ' HA ' ' NE2' ' C' ' 28' ' ' GLN . 20.9 mm-40 -60.13 -41.11 91.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.849 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.68 92.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.813 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.37 -29.88 70.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.046 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.23 -4.07 56.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.18 17.42 67.03 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -99.45 78.94 2.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.741 0.305 . . . . 0.0 110.257 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -64.85 -34.16 77.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.538 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.06 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.035 0.445 . . . . 0.0 110.706 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.51 -34.84 79.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.417 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.15 84.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.471 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.76 -42.34 98.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.623 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.52 98.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.767 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.3 mtt -65.41 -41.77 93.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.566 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.506 ' SD ' HD12 ' C' ' 95' ' ' ILE . 72.6 mtm -63.94 -41.46 97.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.608 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -62.09 -45.72 92.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.362 . . . . 0.0 110.407 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.34 -39.55 93.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.342 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 42.7 t -61.42 -46.25 90.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.401 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 72.1 ttt180 -60.27 -42.18 94.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.3 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -60.67 -44.78 96.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.316 0.579 . . . . 0.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.19 98.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.342 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' C' ' 48' ' ' LEU . 92.7 mt -65.3 -40.13 93.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.723 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.74 -41.74 98.05 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.337 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.48 -39.91 92.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.978 0.418 . . . . 0.0 110.008 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.72 -45.3 75.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.45 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.56 -38.9 86.05 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.392 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.94 -44.67 96.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.287 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.35 -43.22 94.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.015 0.436 . . . . 0.0 110.0 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.515 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 67.6 tp60 -59.21 -44.91 92.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.292 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.57 HG21 ' CG2' ' D' ' 356' ' ' THR . 18.7 m -54.91 -44.02 73.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.144 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.28 -41.76 97.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.498 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.87 -38.46 88.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.795 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.64 -38.94 81.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.831 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.511 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 -73.8 -31.43 63.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.433 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.67 156.08 0.44 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -93.87 -21.58 19.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.848 0.356 . . . . 0.0 110.56 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.25 140.52 45.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.66 -74.68 1.27 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.12 126.18 27.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.866 0.365 . . . . 0.0 110.613 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.12 20.51 72.63 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -55.57 130.88 44.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.633 0.254 . . . . 0.0 110.6 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 99.1 mtp -85.28 141.28 30.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.661 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -89.23 -73.78 0.5 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.95 131.1 63.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.711 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.55 ' O ' HG23 ' C' ' 75' ' ' VAL . 20.8 p -129.42 168.21 16.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.45 -178.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' C' ' 72' ' ' LEU . 19.8 mt -62.05 -42.39 99.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.708 -177.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.571 HG13 HG21 ' C' ' 8' ' ' VAL . 69.1 t -64.33 -46.47 93.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 130.135 3.374 . . . . 0.0 110.626 -178.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.7 mt -65.85 -40.14 91.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.55 HG23 ' O ' ' C' ' 71' ' ' SER . 53.1 t -60.17 -47.57 91.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.226 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.26 -46.18 89.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.313 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.515 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -64.42 -42.63 95.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.922 0.391 . . . . 0.0 110.419 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -63.71 -41.03 98.16 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.211 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.469 ' O ' HG23 ' C' ' 83' ' ' THR . 45.6 tp -57.49 -45.59 84.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.465 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -67.77 -46.39 72.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.709 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.87 -45.53 93.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.814 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -62.0 -43.2 99.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.384 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.469 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.5 p -64.28 -46.84 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.165 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -61.72 -49.76 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.607 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.5 tpp -57.53 -47.97 80.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.737 0.304 . . . . 0.0 110.464 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.41 -44.38 96.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.163 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.16 78.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.926 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.401 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 64.4 ttt-85 -58.53 -45.28 89.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.21 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.37 -44.92 95.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.877 0.37 . . . . 0.0 110.126 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.18 -42.47 96.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.21 0.529 . . . . 0.0 110.074 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.595 HD12 ' HB1' ' C' ' 22' ' ' ALA . 78.8 mt -60.41 -42.32 90.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.394 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.1 m -57.47 -45.7 84.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.067 0.46 . . . . 0.0 110.008 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.07 -43.54 98.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.487 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.565 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 84.7 mt -59.66 -43.54 93.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.347 0.594 . . . . 0.0 109.515 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 95' ' ' ILE . . . . . 0.506 HD12 ' SD ' ' C' ' 41' ' ' MET . 89.1 mt -61.37 -42.92 95.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.598 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -62.36 -38.92 91.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.724 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.36 -41.35 98.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.846 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.1 m80 -60.07 -38.65 83.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.755 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.02 -39.26 89.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.128 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -64.17 -37.1 86.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.254 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.63 134.76 49.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.295 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 68.8 mttm 56.72 14.28 1.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.526 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.329 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.497 179.872 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.524 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 121.89 0.852 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.07 36.65 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.33 38.58 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.035 -1.041 . . . . 0.0 109.569 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.2 149.14 28.42 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.32 18.92 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.057 -1.027 . . . . 0.0 108.401 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.85 144.32 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.7 136.65 36.94 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.181 0.991 . . . . 0.0 110.16 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.4 mt -84.99 114.37 25.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.1 p -106.9 -4.35 19.25 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.814 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.86 85.86 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 119.716 -1.865 . . . . 0.0 110.57 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -45.47 -47.76 12.72 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 124.75 3.633 . . . . 0.0 114.155 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -102.13 27.61 6.5 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 116.009 -2.276 . . . . 0.0 108.799 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.8 -141.92 48.21 Favored Glycine 0 N--CA 1.496 2.693 0 C-N-CA 117.698 -2.191 . . . . 0.0 109.604 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.7 tp -90.07 70.82 7.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.883 -1.363 . . . . 0.0 109.475 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -62.03 176.47 0.56 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 117.906 -1.518 . . . . 0.0 112.094 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.1 p -42.7 -65.05 0.52 Allowed 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -176.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.536 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.1 tmt_? -56.46 -51.58 80.0 Favored Pre-proline 0 N--CA 1.493 1.691 0 C-N-CA 120.181 -0.608 . . . . 0.0 112.446 -177.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.48 -32.2 60.04 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 120.693 0.929 . . . . 0.0 111.513 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.522 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.97 -38.8 86.73 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.221 -0.924 . . . . 0.0 109.54 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.487 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.97 -39.69 72.36 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -63.89 -39.43 94.16 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 118.015 -1.474 . . . . 0.0 109.51 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.68 -45.31 93.37 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 122.606 1.193 . . . . 0.0 108.681 -177.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.522 HG23 ' O ' ' D' ' 319' ' ' ALA . 70.1 t -62.72 -42.29 95.58 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.6 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.77 -40.33 96.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.789 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.539 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.72 80.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 109.62 177.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.0 91.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.561 -1.337 . . . . 0.0 109.456 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.33 -16.19 43.53 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.282 -0.887 . . . . 0.0 113.339 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.95 -10.59 86.13 Favored Glycine 0 N--CA 1.479 1.525 0 O-C-N 119.873 -1.767 . . . . 0.0 109.271 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.46 143.37 32.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.227 -1.749 . . . . 0.0 110.009 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.7 p -75.66 -29.99 59.28 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.243 -0.911 . . . . 0.0 112.335 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.84 158.63 10.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.841 -1.787 . . . . 0.0 112.777 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.04 130.28 35.35 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 102.79 -3.041 . . . . 0.0 102.79 171.305 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.76 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.413 0 CA-C-O 122.222 1.01 . . . . 0.0 109.307 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.88 143.25 50.94 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 123.06 1.41 . . . . 0.0 109.952 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.7 t -108.2 129.9 61.69 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.721 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 173.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.6 m -127.41 119.52 26.35 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.846 -1.159 . . . . 0.0 108.948 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.0 t -122.54 122.62 39.33 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.578 -0.701 . . . . 0.0 109.93 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.77 38.95 24.46 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.94 -1.1 . . . . 0.0 112.719 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.67 11.0 83.56 Favored Glycine 0 N--CA 1.502 3.093 0 O-C-N 119.913 -1.742 . . . . 0.0 112.521 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 67.9 m -124.8 158.53 33.14 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-O 123.833 1.777 . . . . 0.0 112.449 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.42 31.47 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 112.438 -2.164 . . . . 0.0 108.55 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.68 136.05 48.77 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 173.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.435 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.03 -6.81 48.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.715 -1.24 . . . . 0.0 110.68 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -97.4 12.88 31.65 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.633 -1.292 . . . . 0.0 109.418 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.4 t -133.06 104.2 6.41 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.202 1.001 . . . . 0.0 110.092 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.9 tp -57.27 -37.87 73.02 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.968 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.93 -51.33 70.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.614 -1.304 . . . . 0.0 113.064 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.06 -32.43 70.54 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 119.65 -1.906 . . . . 0.0 109.217 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.83 -33.73 75.85 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.941 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.5 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 67.7 tp60 -67.65 -10.39 51.78 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.678 -0.639 . . . . 0.0 109.988 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 352' ' ' THR . . . . . 0.475 ' C ' ' OE1' ' C' ' 60' ' ' GLU . 32.8 p -89.76 -7.75 53.75 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 118.141 -1.423 . . . . 0.0 110.95 -178.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.36 159.29 15.32 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.213 -0.93 . . . . 0.0 110.175 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 106.937 -2.465 . . . . 0.0 106.937 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.61 47.3 1.74 Allowed 'General case' 0 C--N 1.308 -1.203 0 O-C-N 120.761 -1.435 . . . . 0.0 107.378 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.67 ' CG2' HG21 ' C' ' 56' ' ' THR . 64.7 p -81.38 172.59 13.37 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.227 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.75 140.9 57.4 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.872 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.13 78.96 Favored Glycine 0 N--CA 1.502 3.035 0 C-N-CA 120.029 -1.081 . . . . 0.0 111.317 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.39 135.93 34.08 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 120.904 -1.351 . . . . 0.0 110.651 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.54 123.68 48.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.485 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.13 160.05 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 C-N-CA 117.411 -1.716 . . . . 0.0 110.63 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.0 m -108.86 128.38 54.85 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.482 -1.386 . . . . 0.0 107.643 175.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.9 121.4 60.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.56 147.21 50.69 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -179.509 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.7 153.49 47.26 Favored 'General case' 0 C--N 1.292 -1.924 0 C-N-CA 118.496 -1.282 . . . . 0.0 109.762 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.524 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.26 110.78 6.4 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 118.522 -1.271 . . . . 0.0 107.989 178.211 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.28 40.15 Favored Glycine 0 C--N 1.297 -1.62 0 C-N-CA 117.948 -2.072 . . . . 0.0 110.331 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.69 82.92 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-N 114.399 -0.9 . . . . 0.0 112.21 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.96 36.75 3.54 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 115.884 -2.326 . . . . 0.0 108.576 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.32 -33.56 65.72 Favored 'General case' 0 N--CA 1.52 3.067 0 N-CA-C 116.885 2.18 . . . . 0.0 116.885 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.461 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.61 27.31 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 119.604 -1.935 . . . . 0.0 110.967 -176.56 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.764 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.71 97.76 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.25 -49.41 77.95 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 117.415 -1.714 . . . . 0.0 110.043 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.82 -42.23 88.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 CA-C-O 122.273 1.035 . . . . 0.0 109.345 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.89 -47.89 76.61 Favored 'General case' 0 C--N 1.287 -2.139 0 CA-C-O 122.005 0.907 . . . . 0.0 108.749 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.764 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.68 -38.43 77.03 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.718 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.436 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.7 mt -75.53 -28.67 59.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.459 -1.401 . . . . 0.0 110.896 -174.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.46 70.98 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.34 62.63 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.539 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.18 -45.33 83.79 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.554 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.485 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.31 -37.32 85.13 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.88 -1.137 . . . . 0.0 111.563 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.85 61.65 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.025 -1.047 . . . . 0.0 110.246 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.93 -32.27 45.49 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.5 -0.75 . . . . 0.0 111.341 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.13 125.46 12.34 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.305 2.002 . . . . 0.0 112.864 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.814 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 33.8 tp10 . . . . . 0 C--N 1.277 -2.553 0 CA-C-N 111.074 -2.784 . . . . 0.0 110.164 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.0 144.93 56.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.7 mt-10 -61.56 -40.16 93.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.461 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 8' ' ' VAL . 93.8 mt -37.98 -34.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.451 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.11 -46.45 80.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.913 0.387 . . . . 0.0 110.248 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' GLU . 84.6 tt0 -68.48 -35.74 77.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.291 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 58' ' ' LEU . 79.8 t -64.02 -42.52 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.414 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 4' ' ' LEU . 99.2 t -60.57 -44.33 96.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.938 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.5 -41.15 89.22 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.25 -42.16 96.41 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.02 -42.5 99.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.223 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.02 -43.79 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.708 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.487 HD11 ' HB1' ' D' ' 320' ' ' ALA . 85.4 mt -63.14 -44.24 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.99 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.538 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 51.2 t-20 -60.57 -46.4 90.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.799 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -60.8 -44.29 97.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.985 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.22 99.05 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.53 -42.92 98.4 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.46 -49.04 77.55 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -61.0 -46.28 91.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 m -54.73 -44.47 73.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.96 -42.23 99.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.73 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.64 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -58.9 -49.83 76.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.56 -42.07 91.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.621 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.29 94.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.799 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -42.89 83.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.663 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.18 -45.34 95.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.496 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -56.65 -41.72 77.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.0 -43.82 98.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.838 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.81 93.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.718 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -60.43 -30.8 69.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.145 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -79.99 -1.74 40.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.431 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.14 14.24 75.15 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.79 80.36 3.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.764 0.316 . . . . 0.0 110.252 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -64.84 -35.03 79.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.651 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -48.66 79.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.994 0.426 . . . . 0.0 110.757 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.32 80.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.354 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.84 81.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.558 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -61.44 -42.76 99.25 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.599 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.63 97.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.794 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.01 -42.02 94.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.454 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.555 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.2 mtm -64.33 -39.92 94.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.573 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.9 -45.25 94.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.932 0.396 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -62.38 -39.45 93.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.18 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.435 ' HB2' ' HE ' ' A' ' 88' ' ' ARG . 68.4 m -61.39 -45.16 95.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.533 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.32 -42.06 94.83 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.327 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.62 -43.77 97.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.191 0.52 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.16 97.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.282 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 48' ' ' LEU . 93.7 mt -65.05 -40.47 94.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.661 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -61.3 -41.76 97.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.307 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -65.03 -40.72 95.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.206 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.538 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.12 -44.8 78.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.45 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.81 -39.5 89.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.38 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.03 -44.49 97.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.354 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.43 -43.68 94.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.051 0.453 . . . . 0.0 110.015 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.532 HE22 ' CB ' ' A' ' 77' ' ' ALA . 5.4 tp-100 -59.77 -43.69 94.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.282 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -55.42 -44.14 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.076 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.43 -41.18 93.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.499 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.506 HD11 HG11 ' A' ' 7' ' ' VAL . 97.4 mt -67.18 -39.35 86.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.667 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -66.43 -40.03 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -69.75 -30.8 68.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.34 -14.74 65.65 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -98.3 -23.13 15.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.55 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.88 108.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.562 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.19 138.53 16.04 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -88.11 114.17 24.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 110.655 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.68 -5.88 43.38 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -105.41 -165.55 1.13 Allowed 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.779 0.323 . . . . 0.0 110.41 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.75 140.05 58.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.59 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.468 ' HG2' HG13 ' A' ' 70' ' ' VAL . 61.6 tttp -39.16 -91.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.934 0.397 . . . . 0.0 110.938 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.468 HG13 ' HG2' ' A' ' 69' ' ' LYS . 32.7 m -94.21 -143.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.725 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 75' ' ' VAL . 90.8 p -135.35 170.55 15.76 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.538 HD22 ' SD ' ' C' ' 68' ' ' MET . 7.9 tt -58.12 -43.38 87.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.597 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG1' HG21 ' A' ' 8' ' ' VAL . 48.2 t -61.93 -46.3 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.866 0.365 . . . . 0.0 110.609 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.512 ' CD2' ' OE1' ' A' ' 55' ' ' GLN . 30.3 mt -61.58 -38.8 88.86 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 71' ' ' SER . 63.2 t -59.29 -47.37 90.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.186 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -59.72 -45.53 91.89 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.329 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.532 ' CB ' HE22 ' A' ' 55' ' ' GLN . . . -61.9 -44.17 97.33 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.648 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.7 -37.96 86.1 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.141 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 83' ' ' THR . 37.2 tp -57.73 -47.31 82.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.379 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.427 ' O ' ' OG1' ' A' ' 83' ' ' THR . 74.8 m80 -67.36 -47.39 70.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.34 -45.37 94.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.861 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.4 mmm -61.55 -42.84 99.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.196 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.8 p -63.01 -46.7 86.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.112 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -61.97 -48.69 79.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.49 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.75 -48.66 78.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.522 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.13 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.07 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.0 83.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.876 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' HE ' ' HB2' ' A' ' 44' ' ' SER . 69.4 ttt-85 -58.01 -46.07 85.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.114 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.5 -44.5 95.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.057 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.75 -43.13 94.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.211 0.529 . . . . 0.0 109.81 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.64 HD12 ' HB1' ' A' ' 22' ' ' ALA . 75.6 mt -60.82 -42.37 92.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.295 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.2 m -58.04 -45.59 86.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.498 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.6 mt-10 -63.33 -42.67 98.99 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.92 -42.57 94.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.555 HD12 ' SD ' ' A' ' 41' ' ' MET . 89.2 mt -60.85 -43.12 94.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.472 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -61.51 -38.5 87.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 97' ' ' LEU . 35.4 mt -62.38 -41.57 98.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.928 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -59.09 -39.99 83.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.761 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.34 -40.09 89.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.155 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.3 -36.14 83.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.25 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 43.9 mt -83.05 -7.05 59.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.372 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 56.91 26.21 11.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.472 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.583 179.759 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.15 145.02 56.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.607 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.6 mt-10 -61.55 -40.27 94.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.485 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.75 ' O ' HG23 ' B' ' 8' ' ' VAL . 93.9 mt -38.1 -33.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.491 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.4 mt-10 -65.32 -46.64 79.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.1 tt0 -67.93 -35.9 79.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.239 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.502 HG11 HD11 ' B' ' 58' ' ' LEU . 79.9 t -64.08 -42.72 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 4' ' ' LEU . 98.2 t -60.49 -43.96 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.889 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.1 mtp -59.79 -41.07 90.36 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -42.24 96.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.169 -1.173 . . . . 0.0 110.169 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.07 -42.4 99.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.864 0.364 . . . . 0.0 110.388 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.14 -43.83 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.701 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.11 -43.92 99.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.935 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.532 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 52.1 t-20 -61.11 -46.1 91.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.887 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.8 t -60.75 -44.45 96.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.104 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.08 -43.44 98.77 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.146 -1.181 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.97 -43.05 99.86 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.61 -49.04 77.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.915 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 -60.75 -46.38 90.67 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -54.63 -44.57 73.29 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.92 -42.28 99.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.66 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.636 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.17 -49.74 76.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.54 -41.84 90.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.668 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.02 95.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.746 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.12 85.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.636 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.1 -45.48 94.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.33 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.56 -41.89 77.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.83 -43.63 98.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.807 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.06 95.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.743 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.16 -30.64 69.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.075 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.03 -1.91 41.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.413 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.29 13.92 75.51 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.53 80.18 3.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.797 0.332 . . . . 0.0 110.34 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -64.74 -34.95 79.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.649 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.99 -49.25 76.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.077 0.465 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.14 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.415 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.17 80.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.524 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -61.08 -43.25 99.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.555 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.86 98.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.7 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.89 -42.14 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.514 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.555 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.2 mtm -64.1 -40.16 95.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.516 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.73 -45.3 94.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.464 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.23 -39.68 93.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.255 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.439 ' HB2' ' HE ' ' B' ' 88' ' ' ARG . 67.3 m -61.2 -45.31 95.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.483 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -60.24 -41.97 94.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.295 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -60.37 -43.99 96.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.293 0.568 . . . . 0.0 110.664 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.3 97.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.185 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.01 -40.47 94.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.673 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.42 -41.59 97.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.322 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -65.13 -40.87 95.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.079 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.532 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.08 -44.81 79.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.409 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.96 -39.44 89.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.221 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.98 -44.48 97.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.391 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.6 -43.63 93.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.035 0.445 . . . . 0.0 110.038 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.515 ' OE1' ' CD2' ' B' ' 74' ' ' LEU . 5.4 tp-100 -59.65 -43.51 93.86 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.213 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -55.83 -44.02 77.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.971 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.56 -40.76 92.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.844 0.354 . . . . 0.0 110.536 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.502 HD11 HG11 ' B' ' 7' ' ' VAL . 97.5 mt -67.63 -38.98 84.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.86 -40.17 85.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.728 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -69.44 -30.58 68.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.577 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.81 -14.35 65.24 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -98.54 -23.63 15.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.82 0.343 . . . . 0.0 110.6 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.63 108.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.419 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.33 138.75 16.14 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -87.97 114.44 24.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.734 0.302 . . . . 0.0 110.658 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.43 -5.38 44.76 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -106.03 -165.45 1.1 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.559 0.218 . . . . 0.0 110.526 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 77.3 mtm -62.78 141.02 58.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.612 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.439 ' HG2' HG13 ' B' ' 70' ' ' VAL . 61.7 tttp -40.35 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.837 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.439 HG13 ' HG2' ' B' ' 69' ' ' LYS . 33.1 m -92.52 -143.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.485 ' O ' HG23 ' B' ' 75' ' ' VAL . 99.7 p -135.24 171.23 14.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.546 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 72' ' ' LEU . 7.6 tt -59.87 -43.26 94.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.583 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.466 ' CG1' HG21 ' B' ' 8' ' ' VAL . 47.6 t -61.25 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.58 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.515 ' CD2' ' OE1' ' B' ' 55' ' ' GLN . 32.5 mt -61.58 -38.67 88.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.08 0.467 . . . . 0.0 110.936 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 71' ' ' SER . 61.4 t -59.2 -47.13 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.305 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.44 -44.76 95.48 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.257 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.514 ' CB ' HE22 ' B' ' 55' ' ' GLN . . . -62.22 -44.5 96.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.915 0.388 . . . . 0.0 110.414 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -61.47 -37.98 85.57 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.231 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 83' ' ' THR . 36.8 tp -57.79 -47.01 83.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.415 ' O ' ' OG1' ' B' ' 83' ' ' THR . 75.2 m80 -67.58 -47.25 70.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.721 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.52 -45.25 94.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.49 -42.88 99.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.211 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.511 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.1 p -63.31 -45.88 89.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.178 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.56 -48.55 78.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 67.0 ttp -58.38 -47.81 82.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.437 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.97 -43.5 98.71 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.13 82.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.907 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.439 ' HE ' ' HB2' ' B' ' 44' ' ' SER . 69.4 ttt-85 -58.04 -45.91 86.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.246 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.62 -44.38 96.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.149 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.72 -42.64 95.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.092 0.472 . . . . 0.0 110.01 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.636 HD12 ' HB1' ' B' ' 22' ' ' ALA . 75.3 mt -61.45 -42.53 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.175 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 83.3 m -57.82 -45.52 86.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.049 0.452 . . . . 0.0 109.852 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.497 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -63.42 -42.59 98.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.498 HD13 ' OE1' ' A' ' 93' ' ' GLU . 76.9 mt -59.95 -42.69 94.62 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.555 HD12 ' SD ' ' B' ' 41' ' ' MET . 88.1 mt -60.8 -43.16 94.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.488 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.37 -38.5 87.22 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.7 mt -62.44 -41.35 98.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.82 179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -59.3 -40.15 85.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.782 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.18 -40.28 89.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.151 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.24 -36.03 82.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.232 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 46.1 mt -82.82 -7.77 59.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 57.38 26.2 12.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.604 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.547 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.16 145.21 56.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.611 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.5 mt-10 -61.47 -40.31 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.355 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.728 ' O ' HG23 ' C' ' 8' ' ' VAL . 93.8 mt -38.09 -34.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.463 -179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.04 -46.67 80.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 0.0 110.333 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.2 tt0 -68.01 -35.63 78.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.303 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.495 HG11 HD11 ' C' ' 58' ' ' LEU . 78.3 t -64.24 -42.55 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.353 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.728 HG23 ' O ' ' C' ' 4' ' ' LEU . 99.4 t -60.67 -44.09 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.004 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -59.61 -41.2 89.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -42.19 96.28 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 11' ' ' LEU . 83.7 mt -62.87 -42.62 99.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.379 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.97 -44.01 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.697 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.77 -43.93 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.09 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.524 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 51.4 t-20 -61.12 -46.31 91.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.757 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.2 t -60.64 -44.45 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.118 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -43.26 98.84 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -49.77 75.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -60.36 -46.49 89.76 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -54.63 -44.6 73.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.65 -42.37 99.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.739 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.645 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.19 -49.9 76.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.31 -41.87 90.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.522 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.4 96.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.676 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.94 83.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.609 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.14 -45.76 93.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.407 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -56.41 -41.76 76.85 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.97 -43.74 98.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.904 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.04 93.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.825 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -60.47 -30.57 69.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.08 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -80.07 -1.9 41.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.431 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.17 14.35 74.78 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -97.03 80.72 2.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.834 0.35 . . . . 0.0 110.266 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -65.25 -34.96 79.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.515 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.92 77.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.677 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.06 79.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.405 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -47.56 82.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.476 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -61.68 -43.13 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.647 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.99 99.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.78 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.06 -42.35 94.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.555 ' SD ' HD12 ' C' ' 95' ' ' ILE . 72.6 mtm -63.82 -40.2 96.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.67 -45.52 93.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.914 0.388 . . . . 0.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -62.11 -39.69 93.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.333 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' SER . . . . . 0.421 ' HB2' ' HE ' ' C' ' 88' ' ' ARG . 68.7 m -61.03 -45.22 95.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.537 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.402 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 74.3 ttt180 -60.37 -42.0 94.91 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.373 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.49 -43.4 97.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.332 0.587 . . . . 0.0 110.517 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.39 96.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.354 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.8 -40.73 95.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.734 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.19 -41.68 97.25 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.317 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -65.22 -40.66 94.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.026 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.524 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.23 -44.53 79.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.433 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.34 -39.03 89.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.321 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 42.3 mt -61.42 -44.65 96.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.12 -43.75 95.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.056 0.455 . . . . 0.0 109.97 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.544 ' OE1' ' CD2' ' C' ' 74' ' ' LEU . 5.4 tp-100 -59.76 -43.42 94.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.276 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.67 HG21 ' CG2' ' D' ' 356' ' ' THR . 20.0 m -55.97 -43.92 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.118 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.3 -41.32 93.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.544 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.495 HD11 HG11 ' C' ' 7' ' ' VAL . 96.7 mt -67.11 -39.23 86.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.75 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.54 -39.88 85.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.5 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.7 mm-40 -69.93 -30.52 67.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.467 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.83 -14.22 65.43 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -98.49 -23.68 15.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.351 . . . . 0.0 110.493 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.67 108.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.488 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.22 138.62 16.11 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -87.97 114.7 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.362 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.15 -5.3 42.97 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -105.85 -165.5 1.11 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.609 0.242 . . . . 0.0 110.581 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' MET . . . . . 0.538 ' SD ' HD22 ' A' ' 72' ' ' LEU . 77.4 mtm -62.77 141.14 58.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.58 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.435 ' HG2' HG13 ' C' ' 70' ' ' VAL . 61.5 tttp -40.41 -90.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.435 HG13 ' HG2' ' C' ' 69' ' ' LYS . 33.3 m -92.52 -144.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.718 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.497 ' O ' HG23 ' C' ' 75' ' ' VAL . 99.7 p -133.98 173.7 11.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.538 -178.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.422 HD11 ' N ' ' B' ' 72' ' ' LEU . 6.2 tt -60.57 -43.55 97.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.697 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.408 ' CG1' HG21 ' C' ' 8' ' ' VAL . 46.0 t -62.17 -45.96 97.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 130.097 3.359 . . . . 0.0 110.61 -178.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.544 ' CD2' ' OE1' ' C' ' 55' ' ' GLN . 37.1 mt -63.8 -38.24 90.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.031 0.443 . . . . 0.0 110.981 177.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.497 HG23 ' O ' ' C' ' 71' ' ' SER . 63.2 t -59.65 -47.91 89.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.16 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.18 -44.72 94.84 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.301 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.531 ' CB ' HE22 ' C' ' 55' ' ' GLN . . . -62.52 -44.18 96.98 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.881 0.372 . . . . 0.0 110.431 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -61.7 -37.76 85.32 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.232 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' C' ' 83' ' ' THR . 35.7 tp -58.07 -47.27 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.435 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.433 ' O ' ' OG1' ' C' ' 83' ' ' THR . 74.8 m80 -67.23 -47.35 71.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.733 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.43 -45.1 95.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.831 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.81 -42.27 98.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.402 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.0 p -63.69 -46.02 87.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.209 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -62.57 -48.48 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.604 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.8 ttp -58.1 -48.06 81.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.536 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.65 -43.54 98.66 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.131 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.03 82.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.931 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.421 ' HE ' ' HB2' ' C' ' 44' ' ' SER . 69.2 ttt-85 -58.17 -45.9 86.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.253 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.28 -44.57 95.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.177 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.89 -42.84 94.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.174 0.511 . . . . 0.0 110.035 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.645 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.0 mt -61.03 -42.54 93.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.379 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 78.9 m -57.8 -45.64 85.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.003 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.27 -42.69 99.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.499 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.497 HD13 ' OE1' ' B' ' 93' ' ' GLU . 77.5 mt -59.73 -42.6 93.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 95' ' ' ILE . . . . . 0.555 HD12 ' SD ' ' C' ' 41' ' ' MET . 87.2 mt -60.95 -43.11 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.604 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.14 -38.72 87.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.744 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.37 -41.26 98.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.907 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -59.34 -40.23 85.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.713 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.29 -39.88 88.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.5 -36.08 83.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.172 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 45.4 mt -83.01 -7.66 59.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.289 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 57.64 25.96 12.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.481 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.474 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.532 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 121.93 0.872 . . . . 0.0 108.926 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.463 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.68 142.98 36.89 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.36 38.7 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.961 -1.087 . . . . 0.0 109.59 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.16 149.17 28.47 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.32 18.95 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.017 -1.052 . . . . 0.0 108.408 178.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.86 144.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.7 136.57 37.05 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 122.139 0.971 . . . . 0.0 110.154 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.2 mt -84.87 114.36 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.94 -4.3 19.25 Favored 'General case' 0 C--N 1.265 -3.1 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.812 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.79 85.77 Favored Pre-proline 0 N--CA 1.499 1.996 0 O-C-N 119.657 -1.902 . . . . 0.0 110.616 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.52 -47.64 12.98 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 124.798 3.665 . . . . 0.0 114.138 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -102.16 27.57 6.55 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 116.055 -2.258 . . . . 0.0 108.721 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.55 -136.66 50.38 Favored Glycine 0 N--CA 1.497 2.75 0 C-N-CA 117.731 -2.176 . . . . 0.0 109.533 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.524 HD12 HD13 ' D' ' 355' ' ' LEU . 3.6 mt -91.54 70.5 5.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.902 -1.352 . . . . 0.0 109.455 -176.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 315' ' ' HIS . . . . . 0.742 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.7 OUTLIER -60.63 176.21 0.4 Allowed 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 117.927 -1.509 . . . . 0.0 112.093 -179.315 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 3.6 p -42.89 -65.61 0.46 Allowed 'General case' 0 N--CA 1.504 2.269 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.48 ' N ' ' OG1' ' D' ' 316' ' ' THR . 4.4 tmm_? -58.03 -50.58 87.33 Favored Pre-proline 0 N--CA 1.493 1.685 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.517 -177.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.2 -32.31 63.0 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 120.854 1.036 . . . . 0.0 111.456 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.48 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.91 -38.83 86.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.244 -0.91 . . . . 0.0 109.52 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.497 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.96 -39.7 72.39 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.91 -39.45 94.19 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.497 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.68 -45.33 93.26 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.579 1.181 . . . . 0.0 108.669 -177.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.48 HG23 ' O ' ' D' ' 319' ' ' ALA . 58.0 t -62.64 -42.27 95.38 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.672 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.83 -40.32 96.33 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.184 -0.947 . . . . 0.0 109.743 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.85 -39.63 79.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.812 . . . . 0.0 109.574 178.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.03 91.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.623 -1.298 . . . . 0.0 109.481 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.24 -16.31 43.88 Favored 'General case' 0 N--CA 1.51 2.543 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.83 -10.6 86.0 Favored Glycine 0 N--CA 1.48 1.611 0 O-C-N 119.958 -1.714 . . . . 0.0 109.322 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.43 143.31 32.87 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.198 -1.766 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.61 -30.05 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.305 -0.872 . . . . 0.0 112.363 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.8 158.56 10.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.804 -1.81 . . . . 0.0 112.794 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.575 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.0 130.31 35.39 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 102.8 -3.037 . . . . 0.0 102.8 171.316 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.69 136.58 60.39 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.396 0 O-C-N 121.07 -1.018 . . . . 0.0 109.298 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -124.94 143.14 51.03 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 123.052 1.406 . . . . 0.0 110.013 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.07 129.91 61.48 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.727 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 173.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.421 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.43 119.58 26.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.899 -1.126 . . . . 0.0 108.929 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.52 122.61 39.32 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.557 -0.714 . . . . 0.0 109.907 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.66 38.99 24.2 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.819 -1.176 . . . . 0.0 112.799 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.7 10.98 83.54 Favored Glycine 0 N--CA 1.501 3.015 0 O-C-N 119.917 -1.739 . . . . 0.0 112.536 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.73 158.52 33.05 Favored 'General case' 0 C--N 1.276 -2.615 0 CA-C-O 123.772 1.748 . . . . 0.0 112.444 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.37 Favored 'General case' 0 C--N 1.279 -2.467 0 CA-C-N 112.449 -2.159 . . . . 0.0 108.629 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.63 135.95 48.78 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.92 -6.78 47.51 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.751 -1.218 . . . . 0.0 110.73 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.52 13.0 31.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.634 -1.291 . . . . 0.0 109.331 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 67.8 m -133.13 104.22 6.4 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.249 1.023 . . . . 0.0 110.108 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.2 -38.03 73.08 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.921 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -58.87 -51.36 70.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.571 -1.331 . . . . 0.0 113.016 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.41 70.47 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 119.543 -1.973 . . . . 0.0 109.26 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.81 -33.75 75.86 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.944 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.58 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 11.1 tp-100 -67.66 -10.47 52.52 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.649 -0.657 . . . . 0.0 109.935 -177.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.7 p -89.84 -7.6 53.92 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 118.075 -1.45 . . . . 0.0 110.963 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 353' ' ' LEU . . . . . 0.527 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 97.4 mt -93.4 159.27 15.33 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.192 -0.943 . . . . 0.0 110.164 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.87 2.96 Favored Glycine 0 N--CA 1.485 1.943 0 N-CA-C 106.943 -2.463 . . . . 0.0 106.943 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 355' ' ' LEU . . . . . 0.524 HD13 HD12 ' D' ' 314' ' ' LEU . 90.5 mt -119.64 47.44 1.72 Allowed 'General case' 0 C--N 1.309 -1.194 0 O-C-N 120.708 -1.466 . . . . 0.0 107.429 -178.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.729 HG22 HG21 ' C' ' 56' ' ' THR . 6.5 p -81.47 172.53 13.4 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.183 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.69 140.97 57.31 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.869 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.22 79.07 Favored Glycine 0 N--CA 1.5 2.947 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.416 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.44 135.91 34.07 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.876 -1.367 . . . . 0.0 110.633 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.47 123.69 48.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.16 160.14 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 C-N-CA 117.343 -1.743 . . . . 0.0 110.661 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.421 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.8 m -108.97 128.34 54.86 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.585 -1.322 . . . . 0.0 107.621 175.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.82 121.39 60.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 176.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.56 147.24 50.69 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.57 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.46 47.2 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.752 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.532 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.84 6.44 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 118.508 -1.277 . . . . 0.0 108.011 178.183 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.21 -170.28 40.11 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 117.977 -2.059 . . . . 0.0 110.337 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.6 83.03 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 114.356 -0.922 . . . . 0.0 112.129 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 115.878 -2.329 . . . . 0.0 108.616 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -33.52 65.73 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -174.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.452 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.61 27.34 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.549 -1.969 . . . . 0.0 110.962 -176.536 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.762 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.55 -40.73 97.77 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 178.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.42 77.92 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 117.436 -1.706 . . . . 0.0 110.051 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.9 -42.21 88.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 122.258 1.028 . . . . 0.0 109.26 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.88 -47.98 76.41 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.965 0.888 . . . . 0.0 108.65 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.762 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.78 -38.23 76.63 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.764 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.6 mt -75.66 -28.54 58.78 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.394 -1.441 . . . . 0.0 110.92 -174.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.48 70.64 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.29 62.81 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.19 84.3 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.503 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.45 -37.27 85.26 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.9 -1.125 . . . . 0.0 111.551 -177.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.75 61.45 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.076 -1.015 . . . . 0.0 110.293 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.81 -32.38 46.3 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.478 -0.764 . . . . 0.0 111.337 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 125.5 12.24 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 124.299 2.0 . . . . 0.0 112.911 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.812 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 76.5 mt-10 . . . . . 0 C--N 1.277 -2.569 0 CA-C-N 111.148 -2.751 . . . . 0.0 110.077 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 58.9 mp0 -67.61 144.81 55.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.506 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 6' ' ' GLU . 22.3 pt-20 -62.66 -36.81 84.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.514 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 8' ' ' VAL . 64.4 mt -38.6 -32.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.474 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 3' ' ' GLU . 75.0 mm-40 -64.63 -47.01 80.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.88 0.371 . . . . 0.0 110.282 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 3' ' ' GLU . 84.7 tt0 -67.42 -36.23 80.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.247 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.432 HG11 HD11 ' A' ' 58' ' ' LEU . 79.7 t -63.92 -42.5 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.408 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 4' ' ' LEU . 70.6 t -61.09 -44.87 99.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.952 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -59.31 -42.06 90.48 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.44 -42.07 97.75 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.2 mt -63.45 -43.01 98.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.869 0.366 . . . . 0.0 110.185 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.16 -44.71 99.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.75 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.497 HD11 ' HB1' ' D' ' 320' ' ' ALA . 85.9 mt -63.17 -44.28 99.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.941 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -61.45 -45.01 96.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.818 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.432 ' OG ' ' OG ' ' A' ' 84' ' ' SER . 11.9 t -60.7 -45.21 95.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.031 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -42.16 99.24 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -63.62 -45.36 90.63 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.44 -48.76 79.67 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.828 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.0 -45.65 93.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.84 -44.66 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.65 -41.54 97.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.737 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.599 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -56.96 -48.57 78.03 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -59.9 -41.05 90.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.592 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.46 94.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.749 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.79 87.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.703 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.11 -44.49 97.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.443 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.4 -42.21 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.22 0.533 . . . . 0.0 109.597 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.14 -41.42 96.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.788 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.31 93.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.677 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.02 -29.36 70.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.196 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.37 -4.98 53.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.448 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.98 80.41 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -95.18 80.95 3.61 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.8 0.333 . . . . 0.0 110.238 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -65.37 -35.4 80.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.662 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -51.52 67.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.032 0.444 . . . . 0.0 110.821 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.65 81.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.306 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.67 -49.27 77.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.58 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.94 -41.35 96.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.67 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.03 94.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.4 mmm -65.06 -41.94 94.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.503 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.554 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 99.5 mmm -63.75 -39.84 95.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.612 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -62.38 -44.89 95.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.0 0.429 . . . . 0.0 110.522 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.53 -40.33 96.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.236 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.3 t -61.68 -45.72 92.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.577 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.715 ' NH2' HH12 ' A' ' 88' ' ' ARG . 62.7 ttm-85 -60.57 -42.38 96.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.342 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.2 mtt -61.7 -42.76 99.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.236 0.541 . . . . 0.0 110.61 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.84 96.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.208 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' A' ' 18' ' ' ALA . 95.3 mt -65.68 -39.79 91.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.676 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -61.27 -41.48 97.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.263 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.0 -40.06 94.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.127 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.08 79.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.511 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -61.97 -38.48 88.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.376 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -61.27 -43.11 99.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.324 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.5 t -65.52 -43.53 94.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.129 0.49 . . . . 0.0 110.071 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.633 HE22 ' CG1' ' A' ' 59' ' ' ILE . 8.2 tm0? -60.97 -42.64 98.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.21 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -56.9 -43.41 81.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.041 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.34 -38.39 89.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.54 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.432 HD11 HG11 ' A' ' 7' ' ' VAL . 97.8 mt -63.86 -28.44 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.633 ' CG1' HE22 ' A' ' 55' ' ' GLN . 71.8 mt -90.17 -31.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.77 -9.01 59.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.472 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.0 -170.08 9.57 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.585 ' OD1' ' N ' ' A' ' 63' ' ' ALA . 67.5 t0 -63.76 142.01 58.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.552 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.585 ' N ' ' OD1' ' A' ' 62' ' ' ASP . . . -61.42 144.12 54.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 67' ' ' LYS . . . -66.86 160.11 48.37 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.569 ' C ' ' H ' ' A' ' 67' ' ' LYS . 14.3 pt-20 -66.07 127.43 32.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.723 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.23 -29.98 0.32 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.569 ' H ' ' C ' ' A' ' 65' ' ' GLU . 99.5 mttt -100.81 146.2 27.59 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.721 0.296 . . . . 0.0 110.445 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.1 mtm -76.11 -116.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.607 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -96.69 -16.28 21.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.93 0.395 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 t -96.76 114.87 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.737 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.556 ' O ' HG23 ' A' ' 75' ' ' VAL . 96.6 p -130.76 161.92 30.65 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 72' ' ' LEU . 35.5 mt -57.37 -43.94 83.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.65 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.635 HG13 HG21 ' A' ' 8' ' ' VAL . 53.8 t -64.26 -47.66 88.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 120.925 0.393 . . . . 0.0 110.585 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.5 -41.68 98.53 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 71' ' ' SER . 54.0 t -58.93 -46.86 91.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.211 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.38 -45.19 92.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.787 0.327 . . . . 0.0 110.307 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.63 92.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.801 0.334 . . . . 0.0 110.656 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.96 -40.16 96.86 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.169 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 83' ' ' THR . 42.9 tp -57.31 -47.06 82.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.416 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -67.29 -46.95 72.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.708 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.73 -46.39 89.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.756 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.57 -44.19 97.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.244 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.8 p -62.91 -47.56 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.05 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.432 ' OG ' ' OG ' ' A' ' 15' ' ' SER . 66.0 m -61.39 -48.37 81.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.88 -48.34 80.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.55 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.36 -45.14 95.61 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.098 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -47.43 85.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.808 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.715 HH12 ' NH2' ' A' ' 45' ' ' ARG . 1.9 tmt_? -58.48 -45.68 88.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.082 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.37 -43.18 99.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.077 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.89 -42.99 97.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.114 0.483 . . . . 0.0 109.859 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.599 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.1 mt -60.95 -42.26 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.282 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.554 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 18.4 m -57.11 -46.32 82.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.005 0.431 . . . . 0.0 109.847 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.479 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.5 mt-10 -63.28 -42.78 99.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.557 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 79.8 mt -60.08 -43.25 95.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.1 -42.96 95.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.47 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.33 -38.96 88.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.757 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 97' ' ' LEU . 34.1 mt -62.37 -41.38 98.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.814 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.549 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 70.4 m80 -60.31 -39.7 87.94 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.493 ' O ' ' O ' ' A' ' 102' ' ' LYS . 80.7 tt0 -62.22 -39.4 92.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.225 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.88 -38.78 92.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.255 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.8 mt -63.88 -42.43 97.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.417 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.493 ' O ' ' O ' ' A' ' 99' ' ' GLU . 54.1 mtpt -94.26 142.48 27.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.57 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.547 -179.891 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' B' ' 2' ' ' GLU . 59.1 mp0 -67.28 144.57 55.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.542 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' B' ' 6' ' ' GLU . 22.4 pt-20 -62.42 -36.8 83.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.436 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.637 ' O ' HG23 ' B' ' 8' ' ' VAL . 65.3 mt -38.89 -32.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.474 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -64.4 -47.21 80.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.91 0.386 . . . . 0.0 110.366 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.8 tt0 -67.13 -36.19 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.211 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.405 HG11 HD11 ' B' ' 58' ' ' LEU . 79.6 t -64.13 -42.44 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.358 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 4' ' ' LEU . 71.0 t -61.11 -44.95 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.872 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mtp -59.49 -41.91 90.92 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.23 -42.37 97.92 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' B' ' 11' ' ' LEU . 34.6 mt -63.46 -42.84 98.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.308 . . . . 0.0 110.342 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.21 -44.85 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.763 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.03 -44.43 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.926 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -61.3 -45.24 95.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.854 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' SER . . . . . 0.421 ' OG ' ' OG ' ' B' ' 84' ' ' SER . 11.6 t -60.22 -45.33 93.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.109 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.47 -42.21 99.06 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.41 -45.41 91.12 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.53 -48.43 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.945 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.25 -45.68 93.52 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.71 -44.78 81.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.61 -41.71 97.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.741 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.6 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -56.78 -48.58 77.57 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -59.87 -41.26 91.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.685 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.58 93.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.758 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.73 87.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.664 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.21 -44.75 96.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.31 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -55.21 -42.11 72.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.31 -41.54 97.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.89 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.32 92.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.703 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.71 -29.62 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.062 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -79.49 -4.85 53.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.88 11.8 80.86 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -94.92 80.56 3.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 110.341 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.32 -35.21 80.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.592 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -51.41 67.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.025 0.44 . . . . 0.0 110.786 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.37 -35.25 79.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.394 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.61 75.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.528 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.64 -41.48 95.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.538 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.53 96.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.582 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.4 mmm -64.73 -42.04 95.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 99.6 mmm -63.43 -40.47 97.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.533 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -61.75 -45.46 93.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.494 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.16 -40.39 97.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.338 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.0 t -61.41 -45.91 92.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.491 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.716 ' NH2' HH12 ' B' ' 88' ' ' ARG . 62.7 ttm-85 -60.39 -42.66 96.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.273 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.44 -42.98 99.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.301 0.572 . . . . 0.0 110.66 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.27 96.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.136 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' B' ' 18' ' ' ALA . 95.3 mt -65.2 -39.89 93.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.724 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -61.17 -41.49 96.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.393 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.99 -40.09 94.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.156 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.97 79.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.454 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -62.29 -38.29 88.81 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.339 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.38 -43.32 99.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.327 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.23 -43.68 95.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.012 0.434 . . . . 0.0 109.921 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.625 HE22 ' CG1' ' B' ' 59' ' ' ILE . 8.1 tm0? -60.87 -43.04 98.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.232 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -56.66 -43.31 80.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.935 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.38 -38.72 90.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.883 0.373 . . . . 0.0 110.557 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.405 HD11 HG11 ' B' ' 7' ' ' VAL . 97.6 mt -63.6 -28.49 69.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.625 ' CG1' HE22 ' B' ' 55' ' ' GLN . 71.9 mt -90.04 -31.75 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.54 -8.96 59.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.9 -170.63 9.92 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' B' ' 63' ' ' ALA . 67.4 t0 -63.33 141.73 58.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.574 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.568 ' N ' ' OD1' ' B' ' 62' ' ' ASP . . . -61.4 144.2 54.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.413 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' B' ' 67' ' ' LYS . . . -67.2 159.9 49.4 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.574 ' C ' ' H ' ' B' ' 67' ' ' LYS . 14.2 pt-20 -65.66 127.67 32.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 110.663 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.05 -29.8 0.3 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.574 ' H ' ' C ' ' B' ' 65' ' ' GLU . 99.5 mttt -101.03 146.0 27.99 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.603 0.24 . . . . 0.0 110.486 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -75.92 -116.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.611 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -97.54 -15.76 20.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -98.1 114.69 36.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.821 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.598 ' O ' HG23 ' B' ' 75' ' ' VAL . 95.6 p -130.43 164.22 25.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.566 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 72' ' ' LEU . 38.0 mt -60.08 -43.53 95.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.531 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.629 HG13 HG21 ' B' ' 8' ' ' VAL . 54.9 t -63.59 -46.82 93.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 -178.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.18 -40.91 97.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.598 HG23 ' O ' ' B' ' 71' ' ' SER . 53.4 t -59.44 -47.18 91.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.261 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.49 -44.57 93.05 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.345 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.5 90.74 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.854 0.359 . . . . 0.0 110.329 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.91 -39.84 95.76 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.497 ' O ' HG23 ' B' ' 83' ' ' THR . 43.7 tp -57.56 -46.93 83.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.394 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -67.46 -46.78 72.04 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.764 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.93 -46.25 90.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.47 -44.41 97.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.203 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.497 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.1 p -62.86 -47.3 83.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.149 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.421 ' OG ' ' OG ' ' B' ' 15' ' ' SER . 67.3 m -61.55 -48.29 81.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.651 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -57.91 -48.3 80.29 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.445 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.47 -45.21 95.21 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.131 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.53 84.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.897 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.716 HH12 ' NH2' ' B' ' 45' ' ' ARG . 1.9 tmt_? -58.17 -45.92 86.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.218 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.418 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -61.29 -43.26 99.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.12 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.7 -43.02 97.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.055 0.455 . . . . 0.0 110.011 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.6 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.3 mt -60.99 -42.26 92.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.206 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 17.8 m -57.05 -46.13 82.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.005 0.431 . . . . 0.0 109.886 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.471 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.1 mt-10 -63.52 -42.97 98.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.536 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.53 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 81.1 mt -59.64 -43.54 93.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.77 -43.15 94.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.518 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.27 -38.92 88.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.743 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' B' ' 97' ' ' LEU . 33.1 mt -62.6 -41.11 98.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.835 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.0 m80 -60.35 -39.72 88.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.498 ' O ' ' O ' ' B' ' 102' ' ' LYS . 80.7 tt0 -62.32 -39.66 93.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.087 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.7 -39.1 93.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.143 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.0 mt -63.4 -42.32 98.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.38 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.498 ' O ' ' O ' ' B' ' 99' ' ' GLU . 53.8 mtpt -94.54 142.3 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.563 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.54 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' C' ' 2' ' ' GLU . 59.3 mp0 -67.05 144.75 55.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.596 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' C' ' 6' ' ' GLU . 22.5 pt-20 -62.37 -36.98 83.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.373 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.659 ' O ' HG23 ' C' ' 8' ' ' VAL . 64.6 mt -38.69 -32.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.439 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.53 -47.27 79.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.409 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.4 tt0 -66.88 -36.6 82.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.294 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.411 HG11 HD11 ' C' ' 58' ' ' LEU . 79.7 t -63.85 -42.61 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.328 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.659 HG23 ' O ' ' C' ' 4' ' ' LEU . 76.4 t -60.95 -44.98 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.126 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.9 mtp -59.3 -42.01 90.31 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.22 -42.26 97.98 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' C' ' 11' ' ' LEU . 34.9 mt -63.48 -42.88 98.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 110.388 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.23 -44.55 99.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.648 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.21 -44.45 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.002 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -61.2 -45.26 95.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.8 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' SER . . . . . 0.418 ' OG ' ' OG ' ' C' ' 84' ' ' SER . 11.7 t -60.38 -45.12 94.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.145 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.4 -42.58 99.05 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.106 -1.197 . . . . 0.0 110.106 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.33 -45.12 92.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.82 79.98 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.92 -45.79 93.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.57 -45.15 81.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.04 -41.88 97.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.688 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.599 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -56.9 -48.44 78.2 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.418 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.8 m-85 -60.07 -41.12 91.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.591 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.54 93.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.742 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.81 87.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.567 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.05 -44.62 97.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.43 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -55.57 -41.95 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.39 -41.04 96.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.927 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.21 93.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.754 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.4 -29.18 70.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.039 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.6 -4.74 52.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.528 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.96 12.09 80.24 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.18 80.79 3.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.756 0.312 . . . . 0.0 110.247 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.51 -35.19 80.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.535 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.28 -51.45 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.059 0.457 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.28 79.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.402 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.44 76.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.507 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.7 -41.71 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.582 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.21 94.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.778 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.03 -42.17 94.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.551 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 99.4 mmm -63.38 -40.22 96.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.61 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -61.89 -45.17 94.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.895 0.379 . . . . 0.0 110.46 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.31 -40.38 97.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 39.0 t -61.7 -45.91 91.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.562 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.713 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.7 ttm-85 -60.53 -41.98 95.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.303 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.9 -43.15 99.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.336 0.588 . . . . 0.0 110.554 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.46 98.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.31 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.13 -39.73 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.776 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -61.54 -41.17 96.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.358 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.17 -40.54 94.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.99 0.424 . . . . 0.0 110.056 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.35 -45.42 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.442 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -61.66 -38.6 88.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.45 -43.01 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.324 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 77.7 t -65.37 -43.45 94.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.033 0.444 . . . . 0.0 109.985 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.615 HE22 ' CG1' ' C' ' 59' ' ' ILE . 7.8 tm0? -60.91 -43.26 98.79 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.291 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.729 HG21 HG22 ' D' ' 356' ' ' THR . 17.8 m -56.43 -43.24 79.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.125 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.65 -38.36 90.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.883 0.373 . . . . 0.0 110.482 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.411 HD11 HG11 ' C' ' 7' ' ' VAL . 97.6 mt -63.74 -28.47 69.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.805 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.615 ' CG1' HE22 ' C' ' 55' ' ' GLN . 71.6 mt -90.21 -31.57 5.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.58 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.8 mm-40 -81.62 -9.0 59.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.2 -170.2 10.44 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.581 ' OD1' ' N ' ' C' ' 63' ' ' ALA . 67.5 t0 -63.71 141.98 58.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.876 0.369 . . . . 0.0 110.463 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.581 ' N ' ' OD1' ' C' ' 62' ' ' ASP . . . -61.54 144.01 55.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.428 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 64' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' C' ' 67' ' ' LYS . . . -67.16 159.7 49.52 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 65' ' ' GLU . . . . . 0.565 ' C ' ' H ' ' C' ' 67' ' ' LYS . 14.2 pt-20 -65.43 127.82 33.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.53 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.86 -29.79 0.29 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' C' ' 65' ' ' GLU . 99.5 mttt -101.05 145.9 28.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.656 0.265 . . . . 0.0 110.546 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 78.2 mtm -75.86 -116.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.607 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -97.31 -15.55 20.71 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -98.0 114.23 34.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.773 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.617 ' O ' HG23 ' C' ' 75' ' ' VAL . 95.8 p -129.18 166.63 18.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.488 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' C' ' 72' ' ' LEU . 20.2 mt -61.98 -42.69 99.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.706 -177.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.576 HG13 HG21 ' C' ' 8' ' ' VAL . 55.8 t -64.85 -47.3 88.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 130.072 3.349 . . . . 0.0 110.589 -178.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.09 -40.94 91.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.059 0.456 . . . . 0.0 110.926 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.617 HG23 ' O ' ' C' ' 71' ' ' SER . 54.2 t -59.54 -47.48 90.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.226 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.54 -44.71 93.14 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.305 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.34 -44.72 90.6 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.913 0.387 . . . . 0.0 110.456 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -62.84 -39.99 96.05 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.285 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' C' ' 83' ' ' THR . 43.2 tp -57.21 -47.13 82.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.528 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 45.2 m170 -67.23 -47.05 71.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.767 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 55.6 mt -62.0 -45.96 91.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.82 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.67 -44.04 97.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.372 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.3 p -63.25 -47.18 83.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.179 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 84' ' ' SER . . . . . 0.418 ' OG ' ' OG ' ' C' ' 15' ' ' SER . 66.6 m -61.76 -48.07 82.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -58.12 -48.25 80.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.711 0.291 . . . . 0.0 110.462 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.54 -45.17 95.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.168 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.87 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.908 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.713 HH12 ' NH2' ' C' ' 45' ' ' ARG . 1.9 tmt_? -57.88 -45.89 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.238 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.25 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.134 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.78 -42.73 97.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.174 0.512 . . . . 0.0 110.009 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.599 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.9 mt -61.12 -42.35 92.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.408 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.551 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 17.9 m -56.86 -46.05 82.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.048 0.451 . . . . 0.0 109.939 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.76 -43.01 97.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.557 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.6 mt -59.5 -43.32 93.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.506 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.09 -42.98 95.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.578 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -61.3 -38.84 88.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.738 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 97' ' ' LEU . 33.2 mt -62.46 -41.43 98.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.851 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 70.4 m80 -60.24 -39.99 88.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.716 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.504 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.3 tt0 -62.06 -39.36 92.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.127 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.72 -39.18 93.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.192 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.62 -42.24 98.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.415 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.504 ' O ' ' O ' ' C' ' 99' ' ' GLU . 53.8 mtpt -94.45 142.48 27.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.444 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.525 179.909 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 121.845 0.831 . . . . 0.0 109.002 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.84 143.07 36.61 Favored 'General case' 0 C--N 1.288 -2.109 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.08 156.27 38.39 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.067 -1.02 . . . . 0.0 109.552 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.24 28.58 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.28 19.01 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.087 -1.008 . . . . 0.0 108.439 178.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.31 19.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.66 136.58 36.99 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.117 0.96 . . . . 0.0 110.186 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.87 114.3 24.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.9 -4.28 19.33 Favored 'General case' 0 C--N 1.264 -3.125 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.803 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.59 141.77 85.54 Favored Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 119.765 -1.835 . . . . 0.0 110.618 178.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.45 -47.65 12.82 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 124.748 3.632 . . . . 0.0 114.146 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.542 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.1 m-20 -102.13 27.54 6.56 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 116.055 -2.258 . . . . 0.0 108.811 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.2 -142.25 47.71 Favored Glycine 0 N--CA 1.497 2.722 0 C-N-CA 117.611 -2.233 . . . . 0.0 109.618 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' D' ' 314' ' ' LEU . 13.1 tp -90.64 75.07 6.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.972 -1.311 . . . . 0.0 109.491 -177.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -68.72 175.63 3.45 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 117.908 -1.517 . . . . 0.0 112.102 -178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.457 HG23 ' H ' ' D' ' 316' ' ' THR . 12.7 p -39.35 -66.19 0.31 Allowed 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 117.337 2.347 . . . . 0.0 117.337 -177.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.447 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 1.8 tmm_? -56.56 -52.27 74.71 Favored Pre-proline 0 N--CA 1.492 1.668 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.565 -177.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.36 -32.25 61.24 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 C-N-CA 120.753 0.969 . . . . 0.0 111.492 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.504 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.95 -38.91 86.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.237 -0.914 . . . . 0.0 109.449 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.502 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.93 -39.71 72.5 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.91 -39.48 94.27 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 118.002 -1.479 . . . . 0.0 109.459 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.71 -45.27 93.52 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 122.596 1.188 . . . . 0.0 108.715 -177.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.611 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.5 t -62.69 -42.25 95.4 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.276 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.651 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.559 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.3 mttt -63.86 -40.28 96.2 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.181 -0.949 . . . . 0.0 109.812 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.77 -39.73 80.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.474 -0.766 . . . . 0.0 109.528 177.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.0 91.7 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.627 -1.296 . . . . 0.0 109.399 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 327' ' ' LYS . . . . . 0.611 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.8 mttp -61.31 -16.23 43.65 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.237 -0.915 . . . . 0.0 113.388 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.58 86.12 Favored Glycine 0 N--CA 1.479 1.54 0 O-C-N 119.895 -1.753 . . . . 0.0 109.247 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.405 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.5 143.35 32.83 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.183 -1.775 . . . . 0.0 110.004 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.2 p -75.6 -30.14 59.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.238 -0.914 . . . . 0.0 112.284 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.69 158.59 9.94 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.769 -1.832 . . . . 0.0 112.85 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.575 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.03 130.32 35.39 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 102.736 -3.061 . . . . 0.0 102.736 171.314 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.74 136.58 60.38 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 CA-C-O 122.191 0.996 . . . . 0.0 109.299 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -124.95 143.23 50.99 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 123.104 1.431 . . . . 0.0 109.963 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.11 129.95 61.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.731 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 173.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.46 119.54 26.34 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.812 -1.18 . . . . 0.0 108.942 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.58 122.63 39.32 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.902 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.5 t30 51.7 39.04 24.44 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.808 -1.182 . . . . 0.0 112.751 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.56 11.06 83.59 Favored Glycine 0 N--CA 1.502 3.065 0 O-C-N 119.903 -1.748 . . . . 0.0 112.55 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.79 158.54 33.09 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-O 123.799 1.761 . . . . 0.0 112.408 -175.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.38 Favored 'General case' 0 C--N 1.279 -2.48 0 CA-C-N 112.484 -2.144 . . . . 0.0 108.613 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.61 135.97 48.84 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 173.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.02 -6.73 47.43 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.758 -1.214 . . . . 0.0 110.686 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.48 12.98 31.47 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.622 -1.299 . . . . 0.0 109.392 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 68.4 m -133.05 104.14 6.38 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 122.114 0.959 . . . . 0.0 110.169 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.456 HD22 ' CE ' ' A' ' 9' ' ' MET . 53.7 tp -57.24 -37.95 73.05 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.944 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -58.85 -51.33 70.46 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.595 -1.316 . . . . 0.0 113.044 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.44 70.51 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 119.522 -1.986 . . . . 0.0 109.204 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.81 -33.69 75.75 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.951 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.547 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 11.0 tp-100 -67.62 -10.54 53.07 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.647 -0.658 . . . . 0.0 109.907 -177.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 3.2 p -89.73 -7.81 53.68 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 118.123 -1.431 . . . . 0.0 110.926 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 353' ' ' LEU . . . . . 0.472 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.4 mt -93.34 159.25 15.34 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.194 -0.941 . . . . 0.0 110.202 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.87 2.97 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 106.845 -2.502 . . . . 0.0 106.845 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 91.1 mt -119.64 47.37 1.73 Allowed 'General case' 0 C--N 1.309 -1.173 0 O-C-N 120.702 -1.47 . . . . 0.0 107.459 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.943 HG22 HG21 ' C' ' 56' ' ' THR . 3.7 p -81.41 172.49 13.48 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.224 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -60.66 140.91 57.28 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.872 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.45 -3.22 78.9 Favored Glycine 0 N--CA 1.5 2.947 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.358 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.4 135.88 34.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.909 -1.348 . . . . 0.0 110.609 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.7 t -96.39 123.72 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 106.376 -1.712 . . . . 0.0 106.376 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.491 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.22 160.03 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 C-N-CA 117.385 -1.726 . . . . 0.0 110.625 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.6 m -108.85 128.43 54.9 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.484 -1.385 . . . . 0.0 107.569 175.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.87 121.37 60.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.24 50.7 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.5 47.23 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 118.489 -1.284 . . . . 0.0 109.732 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.3 110.84 6.42 Favored 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 118.455 -1.298 . . . . 0.0 107.972 178.217 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.32 40.12 Favored Glycine 0 C--N 1.296 -1.678 0 C-N-CA 118.02 -2.038 . . . . 0.0 110.368 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.42 -40.5 82.64 Favored 'General case' 0 C--N 1.277 -2.545 0 CA-C-N 114.406 -0.897 . . . . 0.0 112.229 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.05 36.73 3.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 118.99 -2.319 . . . . 0.0 108.553 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.57 65.83 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -174.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.466 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.65 27.64 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 119.512 -1.993 . . . . 0.0 110.979 -176.548 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.773 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.7 97.65 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.5 77.62 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 117.458 -1.697 . . . . 0.0 110.056 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.87 -42.14 88.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 CA-C-O 122.122 0.963 . . . . 0.0 109.265 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.93 -47.82 76.84 Favored 'General case' 0 C--N 1.287 -2.138 0 CA-C-O 122.096 0.951 . . . . 0.0 108.785 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.773 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.83 -38.35 76.49 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.669 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.8 mt -75.61 -28.57 58.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.355 -1.466 . . . . 0.0 110.923 -174.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.49 70.78 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 N-CA-C 106.336 -1.728 . . . . 0.0 106.336 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.9 -49.19 63.33 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.24 84.45 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.474 177.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.491 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.33 -37.35 85.25 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.858 -1.151 . . . . 0.0 111.56 -177.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.99 -31.76 61.51 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.007 -1.058 . . . . 0.0 110.242 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.9 -32.3 45.69 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.47 -0.769 . . . . 0.0 111.337 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.0 125.45 12.1 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 124.282 1.992 . . . . 0.0 112.952 178.613 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.803 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.6 mt-10 . . . . . 0 C--N 1.276 -2.61 0 CA-C-N 111.16 -2.745 . . . . 0.0 110.097 -177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.07 140.71 58.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.559 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 6' ' ' GLU . 48.8 tp10 -61.6 136.37 57.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.491 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.687 ' O ' HG23 ' A' ' 8' ' ' VAL . 58.0 mt -37.85 -37.1 0.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.454 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.19 -46.1 82.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.922 0.391 . . . . 0.0 110.322 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.8 mt-10 -68.39 -34.9 76.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.261 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.5 HG11 HD11 ' A' ' 58' ' ' LEU . 94.0 t -64.25 -42.58 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.384 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 4' ' ' LEU . 86.4 t -61.45 -43.44 96.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.943 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.456 ' CE ' HD22 ' D' ' 347' ' ' LEU . 91.3 mtp -58.38 -42.16 86.44 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.03 -41.96 98.37 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.558 HD21 ' HB ' ' A' ' 54' ' ' VAL . 79.9 mt -62.92 -43.06 99.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.845 0.355 . . . . 0.0 110.201 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.6 mt -62.84 -44.45 99.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.742 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.559 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 90.5 mt -63.47 -44.49 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.966 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 46.8 t-20 -61.43 -45.65 93.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.812 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -60.65 -44.69 96.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.009 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.29 -43.22 98.77 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.7 -43.67 95.93 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.82 -49.77 75.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.827 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.27 -46.81 88.52 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -54.61 -44.21 72.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.47 -42.26 98.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.774 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.655 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.5 -50.31 74.41 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.87 -42.24 93.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.577 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.53 92.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.815 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.37 -42.42 86.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.646 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.26 -45.18 95.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.455 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.53 -42.34 74.45 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.46 -41.65 94.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.848 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.31 93.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.771 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.54 -29.39 69.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.114 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -79.89 -4.85 54.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.485 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.29 74.77 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.84 80.36 3.02 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.759 0.314 . . . . 0.0 110.277 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -64.24 -35.01 79.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.69 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.12 80.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.981 0.419 . . . . 0.0 110.698 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.54 81.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.11 80.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.56 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -62.38 -42.36 99.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.569 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.74 99.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.793 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.8 mmm -64.93 -40.45 95.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.545 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.66 -39.94 95.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.65 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.9 -44.63 96.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.986 0.422 . . . . 0.0 110.593 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.69 -40.35 96.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.175 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -60.56 -46.1 91.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.494 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 62.1 ttp180 -60.16 -42.03 94.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.308 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 61.3 mtt -61.82 -42.61 99.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.2 93.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.205 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.62 -40.29 95.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.693 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.91 -41.88 96.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.298 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.17 -39.95 93.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.214 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.452 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.69 -45.38 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.504 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -61.74 -38.29 87.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.416 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -60.62 -43.78 97.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.558 ' HB ' HD21 ' A' ' 11' ' ' LEU . 74.5 t -65.55 -43.11 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.469 . . . . 0.0 110.022 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.47 ' OE1' HD13 ' A' ' 11' ' ' LEU . 45.6 tp60 -60.44 -43.99 96.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.267 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -57.08 -42.81 81.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.974 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.42 -39.96 89.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.575 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.5 HD11 HG11 ' A' ' 7' ' ' VAL . 96.6 mt -69.68 -40.56 76.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.62 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.42 -40.51 84.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.819 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.51 -12.34 58.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.503 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.69 -19.94 35.93 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -90.17 112.98 24.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.583 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.45 137.88 58.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 67' ' ' LYS . . . -106.77 4.14 36.48 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.552 ' C ' ' H ' ' A' ' 67' ' ' LYS . 85.0 tt0 -64.13 126.48 27.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.685 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.88 -35.41 0.23 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.552 ' H ' ' C ' ' A' ' 65' ' ' GLU . 30.6 mmtp -94.66 151.68 19.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.718 0.294 . . . . 0.0 110.45 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' LYS . 4.6 mpp? -46.93 156.16 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.65 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.497 ' HZ2' HG12 ' B' ' 8' ' ' VAL . 98.2 mttt -33.25 -92.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 71' ' ' SER . 16.9 m -87.68 -149.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.675 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 70' ' ' VAL . 70.6 p -135.89 171.61 14.21 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.32 -44.63 84.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.6 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.508 ' CG1' HG21 ' A' ' 8' ' ' VAL . 66.1 t -62.39 -45.04 99.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.878 0.37 . . . . 0.0 110.559 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.06 -39.5 90.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.055 0.455 . . . . 0.0 110.867 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 71' ' ' SER . 56.8 t -59.94 -47.23 92.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.194 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -57.92 -46.46 84.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.41 98.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.684 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -62.96 -39.69 95.43 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.141 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 83' ' ' THR . 39.7 tp -57.42 -46.77 83.16 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.359 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -67.38 -47.29 70.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.733 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.81 -45.35 94.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.767 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.98 -43.58 98.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.223 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.9 p -63.06 -47.67 81.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.11 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.9 t -61.8 -49.29 76.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.42 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -58.34 -48.03 81.85 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.519 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.02 -44.36 96.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.036 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.24 82.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.769 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 76.6 ttt-85 -58.47 -44.13 89.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.132 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.49 ' O ' ' OE2' ' A' ' 93' ' ' GLU . 78.1 mm-40 -60.28 -44.98 94.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.089 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.64 -42.14 95.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.093 0.473 . . . . 0.0 109.871 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.655 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 78.3 mt -60.52 -41.91 89.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.317 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 m -57.8 -45.7 85.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.461 . . . . 0.0 109.939 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' OE2' ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -63.32 -43.16 98.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.586 179.038 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 40.3 mt -59.4 -43.9 92.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.65 -43.19 96.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.514 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.81 -41.45 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 97' ' ' LEU . 37.0 mt -62.55 -42.58 99.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.854 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 60.9 m80 -60.62 -41.52 95.01 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 102' ' ' LYS . 83.3 tt0 -65.05 -38.49 91.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.171 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -64.42 -40.14 95.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.218 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.18 -42.03 96.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.382 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.3 mttt -91.48 141.86 28.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.432 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.575 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.524 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.47 140.67 58.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.554 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 6' ' ' GLU . 49.9 tp10 -61.3 136.48 58.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.469 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.701 ' O ' HG23 ' B' ' 8' ' ' VAL . 58.1 mt -37.96 -37.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.32 -46.09 81.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.326 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.5 mt-10 -68.11 -34.98 77.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.123 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.509 HG11 HD11 ' B' ' 58' ' ' LEU . 93.4 t -64.59 -42.35 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.355 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.701 HG23 ' O ' ' B' ' 4' ' ' LEU . 84.9 t -61.76 -43.07 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.445 ' N ' ' HZ1' ' A' ' 69' ' ' LYS . 91.3 mtp -58.64 -42.16 87.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.19 -41.84 98.18 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.547 HD21 ' HB ' ' B' ' 54' ' ' VAL . 80.5 mt -62.9 -43.04 99.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.717 0.294 . . . . 0.0 110.347 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.99 -44.53 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.665 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.38 -44.58 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.921 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.466 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 46.5 t-20 -61.13 -46.0 92.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.824 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.44 -44.64 95.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.145 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.33 -43.42 98.41 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.24 -43.88 96.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.75 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.905 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.19 -46.95 87.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m -54.37 -44.09 71.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.77 -42.7 97.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.642 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.65 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -59.03 -50.44 74.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.7 -42.43 93.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.662 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.72 91.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.773 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.57 86.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.671 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.23 -45.27 95.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.265 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.66 -42.18 74.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.217 0.532 . . . . 0.0 109.582 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.63 -41.54 95.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.931 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.32 93.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.763 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.54 -29.38 69.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.072 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -80.05 -4.73 53.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.377 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.1 12.94 75.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.38 80.42 3.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.762 0.315 . . . . 0.0 110.292 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -64.48 -34.89 79.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.582 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.92 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.032 0.444 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.6 81.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.389 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.5 79.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.577 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.93 -42.67 99.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.569 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.74 99.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.708 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.19 -40.63 94.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.26 -40.27 96.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.588 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.81 -44.5 96.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.438 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.6 -40.27 96.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.307 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -60.84 -45.82 93.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.56 -41.81 95.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.275 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.74 -42.59 99.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.275 0.56 . . . . 0.0 110.625 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.98 93.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.18 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.99 -40.29 94.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.713 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.68 -41.8 95.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.41 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.27 -40.27 93.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.128 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.466 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.45 -45.31 80.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.466 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.55 -38.81 88.81 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.254 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.42 -43.25 96.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.389 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.547 ' HB ' HD21 ' B' ' 11' ' ' LEU . 74.8 t -66.17 -43.19 92.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.075 0.464 . . . . 0.0 109.962 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.461 ' OE1' HD13 ' B' ' 11' ' ' LEU . 45.5 tp60 -60.44 -43.97 96.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m -56.69 -43.19 80.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.976 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.27 -40.05 89.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.895 0.378 . . . . 0.0 110.552 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.509 HD11 HG11 ' B' ' 7' ' ' VAL . 96.5 mt -69.66 -40.13 76.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.736 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.78 -40.54 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.764 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.46 -12.12 59.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.567 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.69 -20.51 34.09 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -89.76 112.76 24.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 110.55 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.24 137.8 58.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.463 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' B' ' 67' ' ' LYS . . . -106.96 4.49 36.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' B' ' 67' ' ' LYS . 84.9 tt0 -64.24 126.38 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.593 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.08 -35.62 0.24 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.557 ' H ' ' C ' ' B' ' 65' ' ' GLU . 30.4 mmtp -94.61 151.82 19.01 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.65 0.262 . . . . 0.0 110.465 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' MET . . . . . 0.456 ' O ' ' C ' ' B' ' 69' ' ' LYS . 4.6 mpp? -47.13 156.46 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.602 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.47 ' HZ2' HG12 ' C' ' 8' ' ' VAL . 98.3 mttt -33.53 -91.76 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.428 HG23 ' N ' ' B' ' 71' ' ' SER . 16.4 m -86.15 -150.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.795 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.428 ' N ' HG23 ' B' ' 70' ' ' VAL . 47.0 p -135.86 172.61 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tt -59.5 -44.47 93.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.562 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.503 ' CG1' HG21 ' B' ' 8' ' ' VAL . 64.5 t -61.68 -44.14 98.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.64 -178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.47 -39.14 89.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.095 0.474 . . . . 0.0 110.989 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 71' ' ' SER . 53.5 t -60.1 -47.67 91.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.273 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.55 -46.18 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.75 99.29 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.824 0.345 . . . . 0.0 110.412 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -62.66 -39.43 93.88 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.282 179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.499 ' O ' HG23 ' B' ' 83' ' ' THR . 39.3 tp -57.62 -46.74 83.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.416 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -67.34 -47.38 70.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.719 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.7 -45.5 93.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.813 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.92 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.262 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.499 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.1 p -63.35 -47.06 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.23 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 5.3 t -62.25 -49.19 76.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.608 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -58.57 -47.72 83.32 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.777 0.323 . . . . 0.0 110.506 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.21 -44.33 96.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.17 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.76 -46.8 84.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.823 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -58.77 -44.26 90.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.214 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' B' ' 93' ' ' GLU . 77.3 mm-40 -59.98 -45.38 92.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.167 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.11 -42.26 96.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.139 0.495 . . . . 0.0 110.061 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.65 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 79.0 mt -60.5 -41.92 89.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.308 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 18.8 m -57.75 -45.82 85.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.048 0.451 . . . . 0.0 109.797 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.476 ' OE2' ' O ' ' B' ' 89' ' ' GLU . 0.8 OUTLIER -63.15 -43.27 98.77 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.159 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.548 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 41.3 mt -59.47 -44.06 93.1 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.54 -43.23 96.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.526 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.67 -41.63 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' B' ' 97' ' ' LEU . 35.7 mt -62.53 -42.69 99.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.804 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.548 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 60.7 m80 -60.19 -41.81 93.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.052 0.453 . . . . 0.0 109.793 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.495 ' O ' ' O ' ' B' ' 102' ' ' LYS . 83.6 tt0 -64.92 -38.48 91.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.153 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -64.47 -40.16 95.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.169 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.98 -42.32 97.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.389 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.2 mttt -91.33 142.03 28.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.549 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.383 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.545 -179.851 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.43 140.16 58.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.661 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' C' ' 6' ' ' GLU . 50.5 tp10 -60.87 136.53 58.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.354 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.695 ' O ' HG23 ' C' ' 8' ' ' VAL . 57.7 mt -37.96 -37.32 0.25 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.371 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.0 -46.21 82.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.833 0.349 . . . . 0.0 110.386 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.5 mt-10 -68.22 -34.62 76.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.292 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.509 HG11 HD11 ' C' ' 58' ' ' LEU . 90.9 t -64.68 -42.55 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.389 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.695 HG23 ' O ' ' C' ' 4' ' ' LEU . 84.3 t -61.53 -43.04 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.069 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' MET . . . . . 0.444 ' N ' ' HZ1' ' B' ' 69' ' ' LYS . 91.7 mtp -58.7 -42.3 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.86 -41.81 98.65 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.572 HD21 ' HB ' ' C' ' 54' ' ' VAL . 80.3 mt -62.91 -43.24 99.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 0.0 110.353 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.97 -44.23 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.646 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.31 -44.53 99.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.447 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 46.4 t-20 -61.58 -45.76 92.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.784 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -60.56 -44.69 95.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.15 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.1 99.13 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.72 -43.74 95.65 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.76 75.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.799 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.41 -46.79 88.75 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 48.9 m -54.63 -44.32 73.08 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.3 -42.42 99.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.737 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.653 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.63 -50.14 75.02 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.81 -42.68 94.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.508 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.41 91.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.705 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.34 87.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.574 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.38 -44.95 96.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.387 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.05 -41.97 75.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.534 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.57 -41.56 94.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.96 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.55 93.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.852 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.3 -29.65 70.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.068 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -79.62 -4.73 52.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.471 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.23 74.93 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.73 80.86 3.1 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.736 0.303 . . . . 0.0 110.327 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -64.71 -34.78 79.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.539 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.39 79.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.443 . . . . 0.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.18 80.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.415 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -48.14 79.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.492 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -61.99 -42.73 99.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.551 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.05 -42.69 99.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.776 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.22 -40.56 94.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 91.6 mmm -63.26 -40.48 97.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.625 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.47 -44.78 96.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.934 0.397 . . . . 0.0 110.456 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.67 -40.12 96.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -60.62 -46.07 91.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.491 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.26 -42.0 94.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.335 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.77 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.307 0.575 . . . . 0.0 110.575 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.93 95.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.3 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' C' ' 48' ' ' LEU . 92.3 mt -65.09 -40.46 94.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.731 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.78 -41.91 96.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.331 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.13 -40.04 93.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.024 0.44 . . . . 0.0 110.031 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.447 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.58 -45.67 78.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.411 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.542 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 60.1 t-80 -61.32 -38.63 87.57 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.364 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.62 -43.37 97.55 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.323 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' VAL . . . . . 0.572 ' HB ' HD21 ' C' ' 11' ' ' LEU . 74.4 t -65.81 -43.42 93.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.024 0.44 . . . . 0.0 109.932 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.474 ' OE1' HD13 ' C' ' 11' ' ' LEU . 45.4 tp60 -60.28 -44.01 95.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.253 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.943 HG21 HG22 ' D' ' 356' ' ' THR . 19.8 m -56.93 -42.68 80.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.185 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.7 -39.63 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.542 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.509 HD11 HG11 ' C' ' 7' ' ' VAL . 96.8 mt -69.87 -40.23 75.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.74 -40.49 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.826 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.547 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -81.48 -12.15 58.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.456 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.79 -20.01 35.4 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -90.19 112.45 23.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.797 0.332 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.98 137.72 58.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.472 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' C' ' 67' ' ' LYS . . . -106.87 4.56 36.33 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 65' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' C' ' 67' ' ' LYS . 84.7 tt0 -64.3 126.28 27.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.577 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.07 -35.54 0.24 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.557 ' H ' ' C ' ' C' ' 65' ' ' GLU . 30.6 mmtp -94.28 151.55 19.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.656 0.265 . . . . 0.0 110.565 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 68' ' ' MET . . . . . 0.456 ' O ' ' C ' ' C' ' 69' ' ' LYS . 4.6 mpp? -46.99 156.79 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.587 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' C' ' 68' ' ' MET . 98.4 mttt -34.02 -91.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.426 HG23 ' N ' ' C' ' 71' ' ' SER . 16.3 m -86.07 -151.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.767 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.439 ' O ' HG23 ' C' ' 75' ' ' VAL . 37.9 p -134.79 174.92 10.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.503 -177.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.96 -45.12 93.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.699 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.488 HG13 HG21 ' C' ' 8' ' ' VAL . 65.2 t -62.2 -44.71 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 129.996 3.319 . . . . 0.0 110.615 -178.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.11 -39.11 93.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.099 0.476 . . . . 0.0 111.073 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.439 HG23 ' O ' ' C' ' 71' ' ' SER . 56.1 t -60.28 -47.97 90.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.201 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.95 -45.84 86.03 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.292 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.46 99.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.885 0.374 . . . . 0.0 110.399 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -62.97 -39.23 94.07 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.234 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.497 ' O ' HG23 ' C' ' 83' ' ' THR . 39.2 tp -57.77 -46.85 83.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.474 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -67.32 -47.32 70.88 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.762 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.67 -45.71 92.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.888 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -61.47 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.385 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.497 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.6 p -63.43 -47.44 81.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.192 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -61.46 -49.65 75.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -58.2 -48.21 81.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.499 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.78 -44.42 96.92 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.159 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -46.94 83.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.864 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -58.68 -44.5 90.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.191 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 89' ' ' GLU . . . . . 0.506 ' O ' ' OE2' ' C' ' 93' ' ' GLU . 77.6 mm-40 -59.64 -45.44 91.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.908 0.385 . . . . 0.0 110.194 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.31 -42.35 96.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 109.999 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.653 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 77.2 mt -60.18 -42.16 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.417 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 18.2 m -57.52 -45.68 84.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.551 -0.459 . . . . 0.0 109.944 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 93' ' ' GLU . . . . . 0.506 ' OE2' ' O ' ' C' ' 89' ' ' GLU . 0.7 OUTLIER -63.34 -42.86 98.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.496 179.213 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.568 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 41.6 mt -59.84 -43.92 94.36 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.52 -43.47 96.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.592 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -60.26 -41.68 93.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.723 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' C' ' 97' ' ' LEU . 36.8 mt -62.38 -42.65 99.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.942 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.568 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 60.5 m80 -60.68 -41.4 95.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.5 tt0 -65.1 -38.63 91.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.093 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -64.15 -40.45 96.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.233 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.95 -42.37 97.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.314 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.5 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.2 mttt -91.13 141.39 28.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.507 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.564 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.527 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 121.923 0.868 . . . . 0.0 108.945 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.79 143.03 36.7 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.24 38.4 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.031 -1.043 . . . . 0.0 109.576 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.36 18.92 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.97 -1.082 . . . . 0.0 108.414 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.89 144.33 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.66 136.57 37.0 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 122.138 0.971 . . . . 0.0 110.113 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.41 25.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.95 -4.4 19.14 Favored 'General case' 0 C--N 1.264 -3.146 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.815 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.44 141.79 85.95 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 119.678 -1.889 . . . . 0.0 110.587 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -45.48 -47.68 12.83 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 124.795 3.663 . . . . 0.0 114.131 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -102.15 27.55 6.56 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 116.117 -2.233 . . . . 0.0 108.71 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.08 -145.46 43.99 Favored Glycine 0 N--CA 1.496 2.685 0 C-N-CA 117.67 -2.205 . . . . 0.0 109.645 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.3 tp -88.62 79.45 7.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.899 -1.353 . . . . 0.0 109.56 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 315' ' ' HIS . . . . . 0.43 ' CE1' ' H ' ' D' ' 317' ' ' ARG . 2.6 p80 -75.76 177.24 7.03 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 117.876 -1.53 . . . . 0.0 112.136 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 43.1 p -36.36 -68.65 0.13 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.536 ' NH2' ' OG ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -57.03 -52.44 74.08 Favored Pre-proline 0 N--CA 1.492 1.665 0 C-N-CA 120.136 -0.626 . . . . 0.0 112.538 -176.743 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.26 -32.18 62.42 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 CA-C-N 119.448 0.839 . . . . 0.0 111.571 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.468 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.03 -38.82 86.61 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.426 -0.91 . . . . 0.0 109.47 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.66 72.61 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -64.03 -39.3 93.78 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.964 -1.495 . . . . 0.0 109.48 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.78 -45.3 93.29 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.664 1.221 . . . . 0.0 108.693 -177.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.468 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.2 t -62.61 -42.29 95.41 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.63 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.93 -40.2 95.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.356 -0.84 . . . . 0.0 109.771 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.534 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.78 -39.75 80.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.394 -0.816 . . . . 0.0 109.543 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.04 91.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.612 -1.305 . . . . 0.0 109.384 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.3 -16.22 43.5 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.59 86.12 Favored Glycine 0 N--CA 1.479 1.528 0 O-C-N 119.88 -1.763 . . . . 0.0 109.262 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.4 143.34 32.83 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.289 -1.713 . . . . 0.0 110.036 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.2 p -75.64 -29.99 59.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.329 -0.857 . . . . 0.0 112.342 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.82 158.54 10.32 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 119.873 -1.767 . . . . 0.0 112.843 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.581 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.28 35.4 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 102.835 -3.024 . . . . 0.0 102.835 171.301 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.75 136.52 60.56 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 CA-C-O 122.257 1.027 . . . . 0.0 109.3 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.91 143.18 50.99 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-O 123.144 1.449 . . . . 0.0 109.983 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.443 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.1 129.88 61.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 173.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.39 119.66 26.69 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.882 -1.136 . . . . 0.0 108.967 -178.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.62 122.58 39.17 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.524 -0.735 . . . . 0.0 109.884 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.3 t30 51.69 38.99 24.29 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.976 -1.078 . . . . 0.0 112.763 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 11.06 83.46 Favored Glycine 0 N--CA 1.502 3.039 0 O-C-N 119.941 -1.724 . . . . 0.0 112.469 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.9 136.28 54.56 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 105.21 -2.144 . . . . 0.0 105.21 177.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.78 158.51 33.16 Favored 'General case' 0 C--N 1.276 -2.593 0 CA-C-O 123.825 1.774 . . . . 0.0 112.442 -176.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.65 151.41 31.44 Favored 'General case' 0 C--N 1.28 -2.451 0 CA-C-N 112.417 -2.174 . . . . 0.0 108.527 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.56 136.0 48.94 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 173.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.443 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.03 -6.78 47.8 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.734 -1.229 . . . . 0.0 110.688 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.49 12.97 31.53 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.686 -1.259 . . . . 0.0 109.375 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 69.5 m -133.06 104.2 6.41 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 122.189 0.995 . . . . 0.0 110.191 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.27 -37.88 73.04 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.934 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 348' ' ' PHE . . . . . 0.463 ' CE2' ' OE2' ' A' ' 5' ' ' GLU . 57.6 m-85 -58.86 -51.43 70.06 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.571 -1.33 . . . . 0.0 113.054 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.02 -32.46 70.63 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 119.569 -1.957 . . . . 0.0 109.224 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.76 -33.77 75.86 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.96 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.518 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 10.3 tp-100 -67.64 -10.44 52.17 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.653 -0.654 . . . . 0.0 109.951 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.6 p -89.75 -7.69 53.92 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 118.071 -1.451 . . . . 0.0 110.937 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.43 159.27 15.32 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.242 -0.911 . . . . 0.0 110.11 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.88 2.97 Favored Glycine 0 N--CA 1.486 2.004 0 N-CA-C 106.901 -2.479 . . . . 0.0 106.901 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.0 mt -119.54 47.29 1.74 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.728 -1.454 . . . . 0.0 107.4 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.851 HG22 HG21 ' C' ' 56' ' ' THR . 5.0 p -81.45 172.61 13.31 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.22 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.74 140.94 57.38 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.837 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.21 79.03 Favored Glycine 0 N--CA 1.5 2.958 0 C-N-CA 120.014 -1.089 . . . . 0.0 111.395 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.48 135.91 34.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.955 -1.321 . . . . 0.0 110.664 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.5 123.73 48.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.7 m -112.17 160.06 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 117.419 -1.712 . . . . 0.0 110.65 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.85 128.37 54.85 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.487 -1.383 . . . . 0.0 107.592 175.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.84 121.41 60.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.34 50.71 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -179.591 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.83 153.38 47.05 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 118.496 -1.282 . . . . 0.0 109.712 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.527 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.76 6.42 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 118.593 -1.243 . . . . 0.0 108.084 178.19 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.31 40.17 Favored Glycine 0 C--N 1.296 -1.673 0 C-N-CA 118.067 -2.016 . . . . 0.0 110.404 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.41 -40.65 83.03 Favored 'General case' 0 C--N 1.276 -2.606 0 CA-C-N 114.392 -0.904 . . . . 0.0 112.146 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.95 36.72 3.56 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 115.921 -2.312 . . . . 0.0 108.667 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.52 65.82 Favored 'General case' 0 N--CA 1.521 3.076 0 N-CA-C 116.824 2.157 . . . . 0.0 116.824 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.445 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.65 27.45 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 119.578 -1.951 . . . . 0.0 110.953 -176.546 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.76 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.54 -40.66 97.6 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 178.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.59 77.29 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 117.551 -1.659 . . . . 0.0 109.972 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.85 -42.18 88.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-O 122.176 0.989 . . . . 0.0 109.286 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.86 -47.91 76.46 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-O 122.006 0.908 . . . . 0.0 108.776 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.76 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.74 -38.32 76.8 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.736 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.441 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.61 -28.69 58.96 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.426 -1.421 . . . . 0.0 110.835 -174.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.39 -39.49 71.72 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.454 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.2 63.24 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.534 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.19 84.36 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.98 -1.088 . . . . 0.0 110.547 177.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.36 85.43 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.968 -1.083 . . . . 0.0 111.54 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.83 61.65 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.041 -1.037 . . . . 0.0 110.213 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.29 45.8 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.511 -0.743 . . . . 0.0 111.333 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.51 12.39 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 124.308 2.004 . . . . 0.0 112.923 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.815 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 14.2 pt-20 . . . . . 0 C--N 1.276 -2.594 0 CA-C-N 111.165 -2.743 . . . . 0.0 110.118 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.487 ' O ' ' CG2' ' A' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.4 -39.97 85.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 6' ' ' GLU . 83.6 tt0 -90.1 121.65 32.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.475 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.1 mt -37.15 -32.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.391 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.508 ' H ' ' HG2' ' A' ' 3' ' ' GLU . 81.9 tt0 -63.73 -45.85 88.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.89 0.376 . . . . 0.0 110.273 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.8 mt-10 -65.39 -36.89 85.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.229 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 1' ' ' ALA . 94.7 t -63.47 -42.97 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.43 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 4' ' ' LEU . 94.5 t -60.39 -46.42 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.931 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mtp -59.1 -41.0 87.08 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.54 -41.58 97.83 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.41 HD21 ' HB ' ' A' ' 54' ' ' VAL . 31.8 mt -63.77 -43.27 96.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.235 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.46 -44.77 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.786 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.52 -44.17 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.99 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.515 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 51.2 t-20 -61.73 -45.72 92.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.789 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 76.6 p -60.55 -44.29 96.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.977 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.35 98.39 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -62.91 -42.01 99.64 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.99 79.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.859 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -60.5 -47.21 87.15 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.536 ' OG ' ' NH2' ' D' ' 317' ' ' ARG . 49.9 m -53.67 -44.6 69.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.23 -42.26 99.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.654 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.21 -49.95 75.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -60.16 -42.55 95.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.588 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.45 89.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.733 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.57 84.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.727 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.22 -44.77 96.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.451 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.96 -42.38 76.15 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.74 -41.45 95.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.746 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.46 93.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.743 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.81 -28.76 69.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.169 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -80.72 -5.06 56.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.449 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.66 13.61 75.2 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.59 79.88 3.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.793 0.33 . . . . 0.0 110.3 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -65.28 -35.39 80.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.7 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -50.48 70.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.085 0.469 . . . . 0.0 110.783 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.71 80.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.43 79.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.599 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.29 -42.92 96.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.595 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.8 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.01 -41.3 95.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.465 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 99.0 mmm -63.44 -39.93 95.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.67 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.84 -44.49 95.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.994 0.426 . . . . 0.0 110.544 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.94 -40.93 97.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.277 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.5 t -61.64 -45.6 93.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -61.15 -42.25 98.21 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.313 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.94 -43.69 98.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.252 0.549 . . . . 0.0 110.627 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.4 99.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.218 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.06 -39.97 90.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.669 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.09 -42.58 94.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.238 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.05 -40.3 94.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.224 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.515 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.77 -45.06 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.479 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.63 -39.01 89.78 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.41 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.2 mt -60.57 -43.56 97.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.41 ' HB ' HD21 ' A' ' 11' ' ' LEU . 74.4 t -66.1 -43.5 92.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.076 0.465 . . . . 0.0 110.063 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 56' ' ' THR . 0.8 OUTLIER -61.42 -43.71 98.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.236 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.598 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 19.1 m -59.93 -42.2 93.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -59.6 -34.44 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.489 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.514 HD22 HD22 ' A' ' 4' ' ' LEU . 92.6 mt -70.92 -60.66 2.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.533 HD12 ' NE2' ' A' ' 55' ' ' GLN . 73.8 mt -56.81 -35.72 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.859 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -84.26 -12.61 54.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.524 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.54 -19.37 45.09 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -74.51 141.61 44.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 110.596 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.68 136.99 56.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.5 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.35 -9.83 49.78 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.551 ' C ' ' H ' ' A' ' 67' ' ' LYS . 79.0 mm-40 -85.87 118.95 25.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 110.719 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.25 -33.9 0.32 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.551 ' H ' ' C ' ' A' ' 65' ' ' GLU . 99.3 mttt -98.48 144.46 27.81 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.683 0.278 . . . . 0.0 110.438 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.0 mtt -79.86 150.71 30.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -83.72 -9.27 58.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p -108.93 128.57 64.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.689 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.59 ' O ' HG23 ' A' ' 75' ' ' VAL . 85.6 p -134.21 167.58 20.43 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -56.93 -44.96 83.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.701 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.584 HG13 HG21 ' A' ' 8' ' ' VAL . 77.4 t -63.98 -48.18 87.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.865 0.364 . . . . 0.0 110.562 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD22 ' CG1' ' A' ' 59' ' ' ILE . 90.0 mt -63.27 -40.77 98.33 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 71' ' ' SER . 53.6 t -59.22 -47.66 89.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.094 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.89 -44.38 94.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.822 0.344 . . . . 0.0 110.328 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.67 -45.46 86.61 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.676 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.46 -40.57 97.06 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.181 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 83' ' ' THR . 46.8 tp -57.15 -46.82 82.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -67.49 -46.89 71.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.737 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.62 -45.33 94.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.806 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.98 -43.53 98.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.214 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.0 p -63.06 -47.02 84.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.089 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 m -61.64 -48.63 79.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.464 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.98 -48.31 80.38 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.676 0.274 . . . . 0.0 110.519 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.49 -44.79 96.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.0 110.064 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.08 -47.59 82.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.825 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -58.95 -44.78 91.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.082 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.89 -43.79 98.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.042 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.91 -42.53 94.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.127 0.489 . . . . 0.0 109.904 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.612 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.0 mt -60.47 -41.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.279 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 16.0 m -57.09 -45.75 83.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.026 0.441 . . . . 0.0 109.845 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.75 -43.67 95.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.664 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.521 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.5 mt -59.66 -44.04 93.73 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.8 mt -61.61 -43.56 97.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.525 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -61.0 -39.78 91.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.125 0.488 . . . . 0.0 109.772 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 97' ' ' LEU . 35.0 mt -62.33 -41.47 98.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.822 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 61.7 m80 -60.4 -40.01 89.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 103' ' ' ALA . 84.4 tt0 -62.54 -39.56 94.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.252 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.04 -39.23 93.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.19 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.5 mt -63.63 -42.35 98.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -93.71 -3.26 52.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.483 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.605 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.49 ' O ' ' CG2' ' B' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.2 -40.53 86.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' B' ' 6' ' ' GLU . 83.0 tt0 -89.51 121.98 32.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.441 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.603 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.1 mt -37.48 -32.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.527 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.517 ' H ' ' HG2' ' B' ' 3' ' ' GLU . 80.6 tt0 -63.72 -45.66 88.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 110.297 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.3 mt-10 -65.48 -36.83 85.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.241 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' B' ' 1' ' ' ALA . 93.5 t -63.81 -42.68 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.603 HG23 ' O ' ' B' ' 4' ' ' LEU . 96.4 t -60.78 -46.2 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.881 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.0 mtp -59.04 -41.28 87.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -41.75 97.77 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.435 HD21 ' HB ' ' B' ' 54' ' ' VAL . 32.2 mt -63.38 -43.5 97.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 0.0 110.37 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.45 -44.68 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.679 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.54 -44.33 98.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.926 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.2 t-20 -61.47 -45.66 93.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.833 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 79.5 p -60.73 -44.22 96.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.129 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.12 98.83 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.034 -1.227 . . . . 0.0 110.034 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.13 -42.41 99.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.32 -49.08 78.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.924 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -60.55 -46.94 88.33 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.7 m -54.04 -44.28 70.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.39 -42.71 98.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.726 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.626 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.0 -49.96 75.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.78 -42.8 94.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.688 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.19 -41.81 89.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.671 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.14 83.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.578 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.86 -45.0 96.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.323 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.92 -42.06 75.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.8 -41.52 95.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.873 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.35 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.769 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.61 -29.12 69.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.029 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -80.55 -5.1 56.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.76 13.5 75.17 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.24 79.29 3.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.778 0.323 . . . . 0.0 110.323 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -65.18 -35.57 81.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.605 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -50.82 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.986 0.422 . . . . 0.0 110.782 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.99 81.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.419 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.5 79.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.39 -42.7 96.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.561 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.59 92.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.72 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.18 -41.28 94.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.561 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.9 mmm -63.34 -40.43 97.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.595 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.45 -44.73 95.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.43 -41.51 98.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.31 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -61.17 -46.33 90.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.489 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.44 -42.45 96.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.287 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.85 -43.72 97.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.24 99.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.184 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.98 -39.99 90.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.766 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 53.2 t-20 -60.24 -42.38 95.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.334 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.27 -40.09 93.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.117 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.528 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.99 -45.04 78.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.461 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.59 -38.82 88.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.278 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.85 -43.38 98.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.344 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.435 ' HB ' HD21 ' B' ' 11' ' ' LEU . 79.8 t -65.98 -43.56 92.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.038 0.447 . . . . 0.0 110.057 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.602 ' OE1' ' N ' ' B' ' 56' ' ' THR . 0.8 OUTLIER -61.51 -43.64 98.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.248 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.602 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 19.6 m -60.09 -42.16 94.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.925 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -59.7 -34.23 72.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 0.0 110.523 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.513 HD22 HD22 ' B' ' 4' ' ' LEU . 92.3 mt -71.07 -60.64 2.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.544 HD12 ' NE2' ' B' ' 55' ' ' GLN . 72.5 mt -56.85 -35.76 47.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.817 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -84.12 -12.85 54.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.598 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.15 -20.09 43.76 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -73.98 141.64 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 110.551 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.82 137.37 56.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.371 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.8 -10.26 47.05 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' B' ' 67' ' ' LYS . 78.4 mm-40 -85.43 118.32 24.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.592 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.93 -33.89 0.39 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.538 ' H ' ' C ' ' B' ' 65' ' ' GLU . 99.2 mttt -98.47 144.82 27.4 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.647 0.26 . . . . 0.0 110.445 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 67.0 mtt -80.26 150.87 29.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.652 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -83.84 -8.52 59.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.834 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 p -110.32 128.34 66.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.784 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.618 ' O ' HG23 ' B' ' 75' ' ' VAL . 93.5 p -133.86 169.39 17.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.557 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.53 -44.85 93.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.552 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.573 HG13 HG21 ' B' ' 8' ' ' VAL . 79.0 t -62.86 -47.13 94.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.629 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.464 HD22 ' CG1' ' B' ' 59' ' ' ILE . 90.8 mt -63.86 -40.42 96.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.618 HG23 ' O ' ' B' ' 71' ' ' SER . 54.6 t -59.51 -47.36 91.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.275 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.48 -44.1 96.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.366 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.09 88.11 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.838 0.352 . . . . 0.0 110.408 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.77 -40.31 96.9 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.229 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.5 ' O ' HG23 ' B' ' 83' ' ' THR . 47.1 tp -57.55 -46.51 83.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.373 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -67.87 -46.81 70.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.725 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.68 -45.3 94.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.862 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.77 -43.6 98.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.26 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.5 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.8 p -63.06 -46.96 85.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.157 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 66.3 m -61.55 -48.73 79.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.83 -48.33 80.06 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.52 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.7 -44.28 97.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.095 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.75 82.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.918 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -58.69 -44.78 90.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.234 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -61.66 -44.41 97.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.181 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 73.9 mt -64.38 -42.55 96.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.071 0.462 . . . . 0.0 110.014 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.626 HD12 ' HB1' ' B' ' 22' ' ' ALA . 76.9 mt -60.47 -41.88 89.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.255 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.561 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 15.2 m -57.22 -45.85 83.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.085 0.469 . . . . 0.0 109.853 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.34 -44.19 95.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.511 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.517 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.5 mt -59.48 -44.03 93.15 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.59 -43.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.498 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.26 -40.04 92.58 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.3 mt -62.15 -41.68 98.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.843 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 61.6 m80 -59.92 -40.12 87.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.749 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' B' ' 103' ' ' ALA . 84.7 tt0 -62.53 -39.66 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.146 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.17 -39.23 93.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.173 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt -63.44 -42.81 98.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.36 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -93.22 -3.58 53.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.639 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.506 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ALA . . . . . 0.489 ' O ' ' CG2' ' C' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.33 -40.12 85.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.61 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' C' ' 6' ' ' GLU . 83.0 tt0 -89.9 121.82 32.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.355 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.592 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.9 mt -37.49 -32.03 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.448 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 5' ' ' GLU . . . . . 0.506 ' H ' ' HG2' ' C' ' 3' ' ' GLU . 81.3 tt0 -63.66 -45.69 88.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.823 0.344 . . . . 0.0 110.417 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.1 mt-10 -65.3 -37.03 85.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.302 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' C' ' 1' ' ' ALA . 93.8 t -63.39 -42.87 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.592 HG23 ' O ' ' C' ' 4' ' ' LEU . 94.8 t -60.6 -46.35 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.953 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -58.84 -41.41 86.87 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -42.12 98.15 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' C' ' 11' ' ' LEU . 32.6 mt -63.23 -43.43 98.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.383 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.46 -44.52 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.676 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.58 -44.57 98.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.079 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.517 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 49.5 t-20 -61.27 -45.86 92.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.758 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.0 p -60.38 -44.46 95.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.139 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.12 -43.26 98.97 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.0 -42.18 99.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.8 -48.83 79.9 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -60.82 -46.63 89.81 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -54.3 -44.35 71.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.45 -42.01 98.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.71 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.622 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.43 -50.27 74.6 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.71 -42.68 93.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.55 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.68 -41.26 90.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.76 84.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.622 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.15 -44.97 96.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.413 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -55.96 -42.09 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.77 -41.76 96.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.902 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.24 92.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.837 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.69 -29.23 69.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.067 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.21 -5.36 55.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.495 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.98 13.68 74.12 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.68 80.04 3.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.799 0.333 . . . . 0.0 110.282 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -65.91 -35.13 79.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.543 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.53 70.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.08 0.466 . . . . 0.0 110.732 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.59 83.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.332 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.1 77.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.434 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.597 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.96 92.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.719 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -64.95 -41.38 95.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.581 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 99.0 mmm -63.19 -40.34 97.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.667 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.63 -44.57 95.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.471 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.6 -41.41 98.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.346 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 38.2 t -61.26 -46.04 92.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.6 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.82 -42.13 97.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.404 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -61.13 -43.66 98.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.32 0.581 . . . . 0.0 110.492 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.58 99.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.373 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.88 -39.82 91.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.788 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.24 -42.48 95.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.326 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.11 -40.47 94.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.013 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.517 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.63 -45.28 79.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.441 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.63 -38.53 87.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.31 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.21 -43.31 99.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.255 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' VAL . . . . . 0.43 ' HB ' HD21 ' C' ' 11' ' ' LEU . 73.2 t -65.81 -43.86 93.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.028 0.442 . . . . 0.0 109.997 179.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.6 ' OE1' ' N ' ' C' ' 56' ' ' THR . 0.8 OUTLIER -61.32 -44.09 97.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.301 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.851 HG21 HG22 ' D' ' 356' ' ' THR . 19.3 m -59.6 -42.0 91.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.107 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -60.07 -34.08 72.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.929 0.395 . . . . 0.0 110.468 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.534 HD22 HD22 ' C' ' 4' ' ' LEU . 93.1 mt -70.73 -60.6 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.79 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.538 HD12 ' NE2' ' C' ' 55' ' ' GLN . 71.8 mt -57.16 -35.48 48.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.869 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.518 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.1 mm-40 -84.18 -12.89 54.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.25 -20.01 43.7 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -73.97 141.49 45.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 0.0 110.518 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.77 137.23 56.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.462 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.37 -10.46 47.91 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' GLU . . . . . 0.554 ' C ' ' H ' ' C' ' 67' ' ' LYS . 79.1 mm-40 -85.25 118.8 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.559 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.36 -33.54 0.33 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.554 ' H ' ' C ' ' C' ' 65' ' ' GLU . 99.2 mttt -98.71 144.48 27.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.64 0.257 . . . . 0.0 110.531 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 67.1 mtt -80.06 151.11 30.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -84.11 -8.53 59.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 4.3 p -109.96 127.63 66.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.738 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.626 ' O ' HG23 ' C' ' 75' ' ' VAL . 91.2 p -132.2 171.91 13.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.501 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.71 -43.78 98.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.712 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.577 HG13 HG21 ' C' ' 8' ' ' VAL . 72.5 t -64.38 -47.05 91.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 130.098 3.359 . . . . 0.0 110.658 -178.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.48 HD22 ' CG1' ' C' ' 59' ' ' ILE . 93.6 mt -66.29 -40.35 89.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.026 178.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.626 HG23 ' O ' ' C' ' 71' ' ' SER . 53.4 t -59.5 -48.11 88.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.17 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.11 -44.48 94.84 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.325 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.12 88.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.895 0.378 . . . . 0.0 110.436 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 78' ' ' GLN . . . . . 0.402 ' HG2' HE21 ' C' ' 55' ' ' GLN . 85.1 mt-30 -62.82 -40.52 97.64 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.242 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.492 ' O ' HG23 ' C' ' 83' ' ' THR . 47.7 tp -57.22 -46.71 82.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.543 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -67.75 -46.85 70.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.781 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 81' ' ' LEU . . . . . 0.402 HD21 ' HB1' ' C' ' 51' ' ' ALA . 14.8 mt -61.5 -45.36 94.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.811 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.1 mmm -61.89 -43.09 99.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.371 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.492 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.7 p -63.55 -46.78 84.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.165 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -61.84 -48.42 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.95 -48.6 79.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 110.535 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.41 -44.74 96.61 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.191 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.02 80.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.954 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -58.46 -45.2 89.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.306 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.21 -44.29 97.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.19 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.4 mt -64.59 -42.91 95.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.183 0.516 . . . . 0.0 109.996 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.622 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.7 mt -60.05 -41.77 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.438 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 14.4 m -57.36 -45.66 84.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.049 0.452 . . . . 0.0 109.978 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.73 -43.81 95.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.508 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.51 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 86.3 mt -59.54 -43.84 93.38 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.9 -43.07 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.63 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -61.26 -40.14 92.96 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.05 -41.55 98.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.881 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.51 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 62.1 m80 -60.23 -40.32 89.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' C' ' 103' ' ' ALA . 84.3 tt0 -62.48 -39.63 94.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.166 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -39.35 94.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.213 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.49 -42.77 98.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.323 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -93.34 -3.85 52.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.429 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 103' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.363 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.603 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.527 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.701 0 CA-C-O 121.956 0.884 . . . . 0.0 108.955 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.469 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.0 t80 -139.78 143.04 36.71 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.29 38.48 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.908 -1.12 . . . . 0.0 109.517 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.14 149.21 28.53 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.32 18.97 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.992 -1.067 . . . . 0.0 108.342 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.8 144.37 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.65 136.59 36.96 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 122.137 0.97 . . . . 0.0 110.127 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.99 114.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.83 -4.25 19.48 Favored 'General case' 0 C--N 1.264 -3.121 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.52 141.77 85.73 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 119.722 -1.861 . . . . 0.0 110.648 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.42 -47.68 12.7 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 124.828 3.685 . . . . 0.0 114.127 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -102.16 27.49 6.63 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 116.085 -2.246 . . . . 0.0 108.821 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.47 -142.71 46.8 Favored Glycine 0 N--CA 1.496 2.685 0 C-N-CA 117.766 -2.159 . . . . 0.0 109.547 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.3 tp -88.23 74.27 8.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.826 -1.396 . . . . 0.0 109.492 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -67.72 176.6 2.4 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 117.889 -1.524 . . . . 0.0 112.078 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 37.2 p -39.82 -68.22 0.18 Allowed 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 117.252 2.316 . . . . 0.0 117.252 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 7.2 tmm_? -56.92 -50.65 86.91 Favored Pre-proline 0 N--CA 1.492 1.672 0 C-N-CA 120.196 -0.602 . . . . 0.0 112.552 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.34 -32.23 61.51 Favored 'Trans proline' 0 C--N 1.318 -1.034 0 CA-C-N 119.525 0.866 . . . . 0.0 111.48 -178.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.488 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.0 -38.86 86.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.22 -0.925 . . . . 0.0 109.474 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.95 -39.65 72.48 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -64.01 -39.4 94.03 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 117.987 -1.485 . . . . 0.0 109.462 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.63 -45.35 93.25 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 122.609 1.195 . . . . 0.0 108.723 -177.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.488 HG23 ' O ' ' D' ' 319' ' ' ALA . 57.8 t -62.57 -42.29 95.33 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.663 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.49 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 96.9 mttt -63.95 -40.18 95.84 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.273 -0.892 . . . . 0.0 109.761 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.84 -39.69 79.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.4 -0.812 . . . . 0.0 109.578 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.9 91.84 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.672 -1.268 . . . . 0.0 109.482 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.39 -16.2 44.14 Favored 'General case' 0 N--CA 1.511 2.586 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.51 86.16 Favored Glycine 0 N--CA 1.478 1.439 0 O-C-N 119.935 -1.728 . . . . 0.0 109.312 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.411 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.45 143.38 32.78 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.22 -1.753 . . . . 0.0 110.01 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.9 p -75.61 -30.08 59.44 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.262 -0.899 . . . . 0.0 112.318 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.79 158.55 10.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.757 -1.839 . . . . 0.0 112.721 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.583 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.35 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 102.867 -3.012 . . . . 0.0 102.867 171.2 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.7 136.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 CA-C-O 122.186 0.994 . . . . 0.0 109.286 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -124.93 143.2 51.0 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-O 123.083 1.42 . . . . 0.0 109.967 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.06 129.94 61.41 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.732 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 173.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.8 m -127.44 119.5 26.26 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.907 -1.121 . . . . 0.0 108.946 -178.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.2 t -122.51 122.56 39.21 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.576 -0.703 . . . . 0.0 109.904 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.81 38.92 24.5 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.861 -1.149 . . . . 0.0 112.737 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.01 83.54 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 119.97 -1.706 . . . . 0.0 112.484 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.204 -2.147 . . . . 0.0 105.204 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.83 158.53 33.2 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.751 1.738 . . . . 0.0 112.446 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.38 31.4 Favored 'General case' 0 C--N 1.278 -2.528 0 CA-C-N 112.495 -2.139 . . . . 0.0 108.565 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.59 135.9 48.81 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 173.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.442 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.89 -6.87 48.04 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.61 -1.306 . . . . 0.0 110.754 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.45 12.94 31.56 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.642 -1.286 . . . . 0.0 109.41 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.3 t -133.1 104.16 6.38 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 122.2 1.0 . . . . 0.0 110.143 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.433 HD22 ' CE ' ' A' ' 9' ' ' MET . 55.6 tp -57.16 -37.93 72.81 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.025 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.87 -51.39 70.21 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.57 -1.331 . . . . 0.0 113.038 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.01 -32.46 70.63 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 119.606 -1.933 . . . . 0.0 109.234 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.86 -33.75 75.92 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.876 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.523 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 54.5 tt0 -67.64 -10.42 51.97 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.641 -0.662 . . . . 0.0 109.994 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.1 p -89.8 -7.75 53.67 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 118.082 -1.447 . . . . 0.0 110.939 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 353' ' ' LEU . . . . . 0.506 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 97.5 mt -93.32 159.27 15.34 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.257 -0.902 . . . . 0.0 110.222 -178.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.63 104.85 2.96 Favored Glycine 0 N--CA 1.486 2.006 0 N-CA-C 106.91 -2.476 . . . . 0.0 106.91 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 355' ' ' LEU . . . . . 0.433 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.7 mt -119.59 47.29 1.74 Allowed 'General case' 0 C--N 1.309 -1.189 0 O-C-N 120.653 -1.499 . . . . 0.0 107.466 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.966 HG22 HG21 ' C' ' 56' ' ' THR . 4.5 p -81.39 172.51 13.46 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.307 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.65 140.88 57.29 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.941 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.43 -3.1 78.88 Favored Glycine 0 N--CA 1.501 3.001 0 C-N-CA 120.052 -1.071 . . . . 0.0 111.349 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.3 m -84.48 135.99 34.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.959 -1.318 . . . . 0.0 110.543 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.1 t -96.55 123.69 48.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.491 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.13 160.15 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.278 0 C-N-CA 117.379 -1.728 . . . . 0.0 110.661 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.9 m -108.93 128.36 54.87 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.5 -1.375 . . . . 0.0 107.55 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.78 121.39 60.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 176.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.62 147.25 50.71 Favored 'General case' 0 C--N 1.285 -2.206 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 -179.57 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.39 47.17 Favored 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 118.501 -1.28 . . . . 0.0 109.741 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.527 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.75 6.41 Favored 'General case' 0 C--N 1.287 -2.127 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.075 178.179 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.24 40.14 Favored Glycine 0 C--N 1.295 -1.695 0 C-N-CA 117.995 -2.05 . . . . 0.0 110.382 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.46 -40.56 82.98 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.405 -0.898 . . . . 0.0 112.175 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.08 36.86 3.52 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 115.847 -2.341 . . . . 0.0 108.561 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.44 -33.48 65.91 Favored 'General case' 0 N--CA 1.522 3.137 0 N-CA-C 116.872 2.175 . . . . 0.0 116.872 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.439 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.64 27.44 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.615 -1.928 . . . . 0.0 110.979 -176.584 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.766 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.77 97.91 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 178.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.49 77.67 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 117.469 -1.692 . . . . 0.0 109.992 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.78 -42.34 89.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 122.202 1.001 . . . . 0.0 109.255 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.85 -47.91 76.44 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-O 122.008 0.909 . . . . 0.0 108.704 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.766 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.2 m80 -69.87 -38.3 76.36 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.661 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.1 mt -75.61 -28.63 58.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.418 -1.426 . . . . 0.0 110.87 -174.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.41 -39.51 71.53 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.451 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.11 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.29 -45.22 84.32 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.499 177.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.491 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.33 -37.39 85.42 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.882 -1.136 . . . . 0.0 111.541 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.8 61.64 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.181 -0.95 . . . . 0.0 110.276 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.91 -32.33 45.63 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.482 -0.762 . . . . 0.0 111.281 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.96 125.42 11.97 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 124.256 1.979 . . . . 0.0 112.937 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.204 -2.725 . . . . 0.0 110.073 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.89 -37.45 82.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.479 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 6' ' ' GLU . 57.0 mp0 -59.73 -78.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.507 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.689 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.9 mt -38.6 -36.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.4 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -64.54 -48.09 76.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.893 0.378 . . . . 0.0 110.275 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 3' ' ' GLU . 84.6 tt0 -67.78 -35.66 79.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.295 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.51 -42.42 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 4' ' ' LEU . 78.8 t -60.65 -44.68 97.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.94 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.433 ' CE ' HD22 ' D' ' 347' ' ' LEU . 93.7 mtp -59.95 -41.4 91.78 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.53 97.43 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 11' ' ' LEU . 85.5 mt -63.41 -42.62 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.2 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.75 -44.23 99.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.733 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.552 HD11 ' HB1' ' D' ' 320' ' ' ALA . 84.5 mt -62.67 -44.04 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.008 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.29 -45.25 95.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.767 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.4 t -60.26 -44.65 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.996 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.97 -41.21 98.72 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.493 ' O ' ' OG ' ' A' ' 20' ' ' SER . 91.5 mm-40 -62.75 -42.63 99.77 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.9 -47.35 86.13 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.877 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.442 HH21 ' N ' ' A' ' 84' ' ' SER . 41.9 ttm180 -61.03 -46.17 91.83 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.0 p -56.61 -42.56 78.98 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.34 -41.69 98.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.695 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.43 -47.04 82.82 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -58.83 -41.92 88.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.575 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.87 87.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.779 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.8 91.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.723 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 26' ' ' LEU . 56.0 tp -61.27 -44.72 96.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.464 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.536 ' NZ ' ' OE1' ' A' ' 31' ' ' GLN . 66.0 tttm -55.41 -43.19 75.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -62.7 -41.96 99.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.778 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.05 94.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.713 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.67 -27.92 69.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.125 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.536 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 26.2 mt-30 -80.21 -3.94 51.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.473 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.3 13.58 70.68 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.39 79.46 2.78 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.766 0.317 . . . . 0.0 110.242 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -65.03 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.618 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.86 77.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.45 . . . . 0.0 110.748 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.22 80.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.392 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.31 78.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.639 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.33 -44.29 95.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.638 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.57 98.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.47 -42.22 92.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.512 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.642 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.5 mtm -64.04 -41.52 97.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.547 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.43 -47.27 86.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 0.0 110.559 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.04 -41.93 97.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.247 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.2 m -60.78 -46.71 89.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.531 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -60.96 -42.73 98.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.319 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.58 -42.65 99.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.224 0.535 . . . . 0.0 110.646 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.21 -41.84 96.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.204 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 18' ' ' ALA . 90.3 mt -65.65 -40.38 92.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.667 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -61.35 -41.79 97.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.283 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.52 -40.05 92.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.215 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.1 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.486 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.63 -38.59 91.7 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.423 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.64 -43.94 97.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.327 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.39 -43.92 94.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.053 0.454 . . . . 0.0 109.968 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.422 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 67.8 tp60 -61.28 -41.84 97.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.243 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.1 m -58.77 -42.84 89.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.04 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.42 -36.64 84.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.509 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.72 -25.39 65.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.652 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.436 ' CG1' HD22 ' A' ' 74' ' ' LEU . 96.8 mt -92.14 -32.43 5.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -88.22 -7.34 56.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.531 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.33 157.26 19.22 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.29 142.56 57.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.608 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.38 142.67 58.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.473 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.26 -146.48 6.12 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -88.74 107.91 19.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.657 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.88 -32.75 4.19 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -99.92 128.97 45.96 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.74 0.305 . . . . 0.0 110.415 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.16 -119.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.593 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.62 -74.74 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.895 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 t -94.17 113.83 29.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.658 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 75' ' ' VAL . 82.8 p -132.26 165.08 24.98 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.9 mt -58.32 -42.25 86.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.65 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.649 HG13 HG21 ' A' ' 8' ' ' VAL . 50.9 t -63.56 -47.61 90.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.882 0.372 . . . . 0.0 110.603 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.436 HD22 ' CG1' ' A' ' 59' ' ' ILE . 93.1 mt -64.33 -41.14 96.94 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.019 0.437 . . . . 0.0 110.827 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 71' ' ' SER . 61.2 t -59.81 -47.64 90.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.145 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -58.68 -44.39 90.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.839 0.352 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.84 -42.01 95.26 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.665 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.417 ' OE1' HD11 ' A' ' 59' ' ' ILE . 21.7 mm100 -62.94 -42.0 99.67 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.221 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.545 ' O ' HG23 ' A' ' 83' ' ' THR . 50.1 tp -58.32 -46.77 85.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.417 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -67.78 -48.77 65.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.679 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.47 -45.61 93.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.794 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -62.13 -44.01 97.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.147 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.1 p -63.76 -46.3 85.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.077 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.442 ' N ' HH21 ' A' ' 19' ' ' ARG . 46.7 t -62.61 -49.26 75.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.373 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.2 ttm -58.22 -47.46 83.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.483 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.8 -45.26 94.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.391 . . . . 0.0 110.091 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.56 84.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.837 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.1 -45.41 87.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.145 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.9 mt-10 -62.18 -42.67 99.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.123 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.22 -42.94 96.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.268 0.556 . . . . 0.0 109.911 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.429 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.0 mt -60.41 -41.57 87.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.328 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.5 m -57.15 -46.07 83.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.036 0.446 . . . . 0.0 109.931 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -62.54 -42.8 99.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.529 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.4 mt -58.81 -42.89 90.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.362 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.642 HD12 ' SD ' ' A' ' 41' ' ' MET . 91.0 mt -61.73 -42.45 94.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.551 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -61.64 -39.1 90.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.701 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.53 HD11 ' CD2' ' B' ' 94' ' ' LEU . 85.5 mt -61.99 -41.17 97.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.865 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -60.08 -38.72 83.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.35 -38.98 91.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.179 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.51 -38.22 90.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.186 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.25 135.46 50.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.421 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 55.41 14.78 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.57 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.838 -1.077 . . . . 0.0 110.572 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.06 -37.4 82.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' B' ' 6' ' ' GLU . 57.4 mp0 -59.61 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.43 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.676 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.0 mt -38.85 -35.95 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.497 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -64.42 -48.35 75.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.353 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' B' ' 3' ' ' GLU . 83.7 tt0 -67.3 -36.14 80.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.225 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.31 -42.28 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.011 0.434 . . . . 0.0 110.375 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.676 HG23 ' O ' ' B' ' 4' ' ' LEU . 78.5 t -60.77 -44.78 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.929 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.5 mtp -59.85 -41.27 91.09 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.79 -42.53 97.04 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.2 -42.47 99.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.801 0.334 . . . . 0.0 110.377 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.2 mt -63.11 -43.85 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.642 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.96 -44.11 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.941 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.21 -45.28 95.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.857 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.4 t -60.07 -45.03 94.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.04 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.43 98.96 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.488 ' O ' ' OG ' ' B' ' 20' ' ' SER . 91.6 mm-40 -62.44 -42.73 99.67 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.439 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -59.69 -47.62 84.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.943 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.457 HH21 ' N ' ' B' ' 84' ' ' SER . 41.9 ttm180 -60.89 -45.73 93.43 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.3 p -57.0 -42.62 80.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.7 mt -62.27 -41.49 98.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.71 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.431 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.82 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.462 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.0 m-85 -58.87 -41.87 88.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.618 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.34 88.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.699 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.73 -44.98 90.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.621 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.515 HD11 ' CE1' ' B' ' 98' ' ' HIS . 56.6 tp -61.17 -44.67 96.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.308 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.525 ' NZ ' ' OE1' ' B' ' 31' ' ' GLN . 66.1 tttm -55.75 -42.91 76.11 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.84 -41.76 99.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.863 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.39 94.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.725 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.2 -28.57 69.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.097 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.525 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 26.2 mt-30 -79.72 -4.05 50.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.421 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.42 13.27 71.06 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.06 79.33 2.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.735 0.302 . . . . 0.0 110.321 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -65.16 -35.13 80.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.623 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.21 -49.3 76.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.051 0.453 . . . . 0.0 110.766 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.93 79.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.426 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.12 78.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.52 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.61 -44.4 96.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.492 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.69 98.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.658 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.6 -42.21 91.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.457 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.649 ' SD ' HD12 ' B' ' 95' ' ' ILE . 72.8 mtm -63.78 -41.62 97.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.545 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -61.49 -47.68 84.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.469 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.61 -41.74 98.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.297 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m -60.87 -46.98 88.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.471 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -60.82 -42.61 98.03 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.283 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.62 -42.76 99.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.264 0.554 . . . . 0.0 110.651 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.94 -42.35 97.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.136 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.439 HD21 ' CB ' ' B' ' 18' ' ' ALA . 89.7 mt -65.37 -40.44 93.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.72 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -61.24 -41.95 97.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.366 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.28 -40.26 93.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.222 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.43 -44.37 78.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.482 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -63.4 -38.65 91.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.277 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 53' ' ' LEU . 37.6 mt -61.67 -44.2 97.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.334 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.13 -43.74 95.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.016 0.436 . . . . 0.0 110.007 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.403 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 67.3 tp60 -61.56 -41.55 97.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.238 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 96.1 m -58.97 -43.08 91.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.963 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.08 -37.18 86.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.843 0.354 . . . . 0.0 110.496 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.2 -25.52 66.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.443 ' CG1' HD22 ' B' ' 74' ' ' LEU . 96.9 mt -92.17 -32.69 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.768 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -88.06 -7.41 57.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.7 156.74 16.72 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -65.85 142.69 57.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.331 . . . . 0.0 110.612 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.69 142.39 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.349 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.11 -146.81 6.21 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -88.39 108.2 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.84 -32.58 4.24 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -100.08 129.78 46.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.586 0.231 . . . . 0.0 110.527 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.84 -119.49 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.675 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -88.78 -74.28 0.47 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t -95.68 113.44 30.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.77 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.549 ' O ' HG23 ' B' ' 75' ' ' VAL . 94.5 p -131.62 166.94 20.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.532 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.84 -41.85 96.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.483 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.636 HG13 HG21 ' B' ' 8' ' ' VAL . 49.4 t -62.74 -46.9 95.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.606 -177.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.443 HD22 ' CG1' ' B' ' 59' ' ' ILE . 97.1 mt -64.68 -40.86 96.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.99 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 71' ' ' SER . 58.1 t -59.77 -47.8 89.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.294 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -58.84 -44.53 90.96 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.306 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.403 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -64.53 -42.24 95.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.88 0.372 . . . . 0.0 110.427 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.408 ' OE1' HD11 ' B' ' 59' ' ' ILE . 21.3 mm100 -62.75 -41.93 99.43 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.25 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 83' ' ' THR . 49.2 tp -58.53 -46.5 86.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.378 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -67.82 -48.99 64.67 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.729 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.14 -45.68 93.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.05 -44.18 97.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.541 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.8 p -63.52 -46.47 85.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.104 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.457 ' N ' HH21 ' B' ' 19' ' ' ARG . 46.8 t -62.32 -49.49 75.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.581 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 34.1 ttm -57.9 -47.41 82.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.471 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.11 -44.79 95.88 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.159 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.79 -47.4 85.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.843 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.16 -45.51 87.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.267 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.489 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.2 mt-10 -61.67 -43.18 99.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.172 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 70.3 mt -64.05 -42.86 96.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.16 0.505 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.431 HD12 ' HB1' ' B' ' 22' ' ' ALA . 79.1 mt -60.35 -41.53 87.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.183 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.8 m -57.18 -46.09 83.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.13 0.49 . . . . 0.0 109.871 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.65 -42.72 99.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.44 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.53 ' CD2' HD11 ' A' ' 97' ' ' LEU . 37.2 mt -58.84 -43.11 90.62 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.649 HD12 ' SD ' ' B' ' 41' ' ' MET . 90.6 mt -61.57 -42.77 95.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.511 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -60.86 -39.69 90.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' C' ' 94' ' ' LEU . 84.5 mt -61.92 -41.3 97.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.824 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.515 ' CE1' HD11 ' B' ' 26' ' ' LEU . 47.0 m170 -59.73 -39.06 83.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.74 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.85 -39.37 91.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.14 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.38 -38.15 90.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.204 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 85.7 mt -69.39 135.17 49.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.342 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt 55.73 14.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.51 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.593 179.854 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.79 -37.43 81.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.619 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' C' ' 6' ' ' GLU . 57.2 mp0 -59.34 -78.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.369 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.682 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.8 mt -38.92 -36.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.393 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -64.24 -48.47 75.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.828 0.346 . . . . 0.0 110.411 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.1 tt0 -67.21 -36.28 81.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.301 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.1 -42.35 95.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.682 HG23 ' O ' ' C' ' 4' ' ' LEU . 78.0 t -60.76 -44.89 98.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.976 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.5 mtp -59.83 -40.99 90.34 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.35 96.79 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.29 -42.64 99.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.414 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.85 -43.89 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.761 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.86 -44.1 99.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.047 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.19 -45.78 93.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.778 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -59.7 -44.69 93.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.162 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.65 -41.99 98.88 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' GLN . . . . . 0.505 ' O ' ' OG ' ' C' ' 20' ' ' SER . 91.4 mm-40 -62.33 -42.58 99.49 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.441 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -59.61 -47.66 84.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.451 HH21 ' N ' ' C' ' 84' ' ' SER . 41.7 ttm180 -60.95 -45.55 94.27 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.3 p -57.37 -42.47 82.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.11 -41.59 98.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.721 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.425 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.89 -46.63 84.62 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.9 m-85 -59.3 -41.82 89.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.501 178.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.32 88.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.723 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.69 -44.86 90.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.609 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.516 HD11 ' CE1' ' C' ' 98' ' ' HIS . 56.7 tp -61.4 -44.8 96.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.419 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' LYS . . . . . 0.546 ' NZ ' ' OE1' ' C' ' 31' ' ' GLN . 65.9 tttm -55.33 -43.03 74.58 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -62.77 -41.73 99.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.926 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.91 95.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.778 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -61.81 -28.16 69.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.083 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.546 ' OE1' ' NZ ' ' C' ' 27' ' ' LYS . 26.2 mt-30 -79.88 -4.24 51.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.407 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.65 13.25 70.46 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.25 79.27 2.8 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -65.04 -35.4 81.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.578 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -49.27 76.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.076 0.465 . . . . 0.0 110.672 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.11 80.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.59 -48.36 77.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.49 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.11 -44.57 94.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.607 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.81 98.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.46 -42.53 92.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.051 0.453 . . . . 0.0 110.57 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.649 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.1 mtm -63.56 -41.64 98.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.59 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.51 -47.62 84.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.387 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -63.64 -41.69 98.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.346 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -61.05 -46.75 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.505 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.86 -42.68 98.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.357 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.49 -43.01 99.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.332 0.587 . . . . 0.0 110.564 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.45 97.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.328 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.441 HD21 ' CB ' ' C' ' 18' ' ' ALA . 90.3 mt -65.22 -40.51 94.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.725 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.46 -41.59 97.47 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.343 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.54 -40.14 92.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.031 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.45 78.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.454 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.47 -38.34 90.76 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.357 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.23 -43.77 98.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.251 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 62.6 t -65.34 -43.77 94.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.979 0.419 . . . . 0.0 109.961 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.421 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 67.7 tp60 -61.52 -41.96 98.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.265 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.966 HG21 HG22 ' D' ' 356' ' ' THR . 97.8 m -58.71 -42.76 89.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.1 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -63.19 -37.39 87.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.942 0.401 . . . . 0.0 110.5 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.85 -25.51 66.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.786 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.434 ' CG1' HD22 ' C' ' 74' ' ' LEU . 96.8 mt -92.28 -32.57 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.812 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.523 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 73.0 mm-40 -88.18 -7.23 57.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.451 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.79 156.93 16.76 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -66.11 142.43 57.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.524 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.42 142.68 58.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.52 -146.61 6.11 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -88.51 108.25 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.54 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.53 -32.06 4.33 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -100.36 129.79 46.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.574 0.226 . . . . 0.0 110.6 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.09 -119.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.554 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.477 ' HB3' ' NE2' ' D' ' 351' ' ' GLN . 68.7 mttm -88.92 -74.21 0.48 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 11.4 t -95.5 112.78 28.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.752 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.561 ' O ' HG23 ' C' ' 75' ' ' VAL . 97.3 p -130.29 169.28 15.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.476 -178.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.62 -41.6 99.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.646 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.611 HG13 HG21 ' C' ' 8' ' ' VAL . 49.2 t -63.3 -47.53 91.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 130.109 3.364 . . . . 0.0 110.652 -178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.434 HD22 ' CG1' ' C' ' 59' ' ' ILE . 98.9 mt -66.65 -40.52 88.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 178.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.561 HG23 ' O ' ' C' ' 71' ' ' SER . 63.0 t -60.15 -48.25 88.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.266 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -58.79 -44.26 90.69 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.325 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.421 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -65.09 -41.68 94.78 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.875 0.369 . . . . 0.0 110.44 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 78' ' ' GLN . . . . . 0.406 ' OE1' HD11 ' C' ' 59' ' ' ILE . 21.2 mm100 -63.26 -41.67 99.06 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.202 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.545 ' O ' HG23 ' C' ' 83' ' ' THR . 48.7 tp -58.75 -46.49 87.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.52 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -67.85 -48.79 65.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.668 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.51 -45.32 94.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.785 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.23 -44.16 97.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.348 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.545 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.2 p -63.82 -46.27 85.86 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.14 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 84' ' ' SER . . . . . 0.451 ' N ' HH21 ' C' ' 19' ' ' ARG . 44.7 t -62.43 -49.12 76.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.631 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 34.1 ttm -58.3 -47.41 83.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.506 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.06 -45.09 95.09 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.136 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.36 85.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.954 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.25 -45.31 88.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.7 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.192 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.9 -42.98 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.162 0.506 . . . . 0.0 110.04 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.425 HD12 ' HB1' ' C' ' 22' ' ' ALA . 78.7 mt -60.31 -41.45 87.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.353 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 77.4 m -57.49 -45.68 84.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.03 0.443 . . . . 0.0 109.972 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.93 -42.42 99.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.484 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.533 ' CD2' HD11 ' B' ' 97' ' ' LEU . 36.8 mt -59.1 -42.91 91.63 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 95' ' ' ILE . . . . . 0.649 HD12 ' SD ' ' C' ' 41' ' ' MET . 90.2 mt -61.72 -42.55 94.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.545 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.14 -39.37 89.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.781 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 97' ' ' LEU . 86.3 mt -61.99 -41.35 97.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.91 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.516 ' CE1' HD11 ' C' ' 26' ' ' LEU . 47.3 m170 -59.76 -39.0 83.39 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.95 -39.26 91.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.089 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.37 -38.24 90.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.204 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.53 135.11 49.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.376 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 55.61 15.13 1.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.504 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.4 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.497 179.795 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 121.869 0.842 . . . . 0.0 109.005 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.8 143.0 36.65 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.36 38.7 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.0 -1.062 . . . . 0.0 109.507 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.15 28.46 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.93 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.993 -1.067 . . . . 0.0 108.389 178.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.31 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.64 136.64 36.89 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 122.134 0.968 . . . . 0.0 110.135 177.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -85.01 114.32 25.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.91 -4.22 19.38 Favored 'General case' 0 C--N 1.265 -3.083 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.805 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.6 141.82 85.57 Favored Pre-proline 0 N--CA 1.5 2.06 0 O-C-N 119.674 -1.892 . . . . 0.0 110.579 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.58 -47.55 13.22 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 124.739 3.626 . . . . 0.0 114.102 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -102.21 27.55 6.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 116.052 -2.259 . . . . 0.0 108.728 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.64 -143.82 48.73 Favored Glycine 0 N--CA 1.496 2.688 0 C-N-CA 117.738 -2.172 . . . . 0.0 109.588 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.2 tp -99.76 80.68 2.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.934 -1.333 . . . . 0.0 109.534 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -83.92 174.92 9.96 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 117.789 -1.564 . . . . 0.0 112.186 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 60.5 p -29.86 -68.82 0.07 Allowed 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.592 ' NH1' ' OG ' ' A' ' 20' ' ' SER . 3.3 ttt-85 -48.64 -60.9 3.8 Favored Pre-proline 0 N--CA 1.493 1.69 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.578 -177.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.59 -32.25 58.7 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.369 2.046 . . . . 0.0 111.481 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.475 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.01 -38.86 86.75 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.241 -0.912 . . . . 0.0 109.457 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.436 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.81 -39.77 72.88 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -63.97 -39.31 93.85 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.937 -1.505 . . . . 0.0 109.529 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.78 -45.29 93.37 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 122.61 1.195 . . . . 0.0 108.702 -177.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.475 HG23 ' O ' ' D' ' 319' ' ' ALA . 52.9 t -62.62 -42.28 95.4 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.262 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.658 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.264 -0.898 . . . . 0.0 109.761 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.7 80.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.509 -0.744 . . . . 0.0 109.565 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.04 91.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.581 -1.324 . . . . 0.0 109.36 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.35 -16.14 43.11 Favored 'General case' 0 N--CA 1.512 2.628 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.91 -10.61 86.08 Favored Glycine 0 N--CA 1.479 1.55 0 O-C-N 119.937 -1.727 . . . . 0.0 109.32 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.404 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.33 32.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.329 -1.689 . . . . 0.0 109.996 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.53 -30.11 59.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.228 -0.92 . . . . 0.0 112.395 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.74 158.6 10.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 119.843 -1.786 . . . . 0.0 112.779 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.99 130.24 35.32 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 102.836 -3.024 . . . . 0.0 102.836 171.229 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.6 60.32 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.393 0 CA-C-O 122.252 1.025 . . . . 0.0 109.318 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.92 143.21 50.98 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 123.107 1.432 . . . . 0.0 109.942 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.13 129.94 61.52 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 173.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.5 m -127.43 119.58 26.46 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.928 -1.108 . . . . 0.0 108.923 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.55 122.64 39.36 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 119.946 -0.701 . . . . 0.0 109.864 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.72 38.92 24.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.964 -1.085 . . . . 0.0 112.816 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 10.94 83.56 Favored Glycine 0 N--CA 1.502 3.057 0 O-C-N 119.939 -1.725 . . . . 0.0 112.503 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.81 136.28 54.53 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.83 158.53 33.18 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-O 123.771 1.748 . . . . 0.0 112.432 -176.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.3 31.26 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 112.463 -2.153 . . . . 0.0 108.56 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.5 135.99 49.03 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 173.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.04 -6.75 47.59 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.707 -1.246 . . . . 0.0 110.734 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.49 12.95 31.59 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.634 -1.291 . . . . 0.0 109.354 -177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.4 t -133.04 104.08 6.35 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 122.094 0.95 . . . . 0.0 110.132 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.18 -37.99 72.95 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.989 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -58.76 -51.37 70.26 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.552 -1.343 . . . . 0.0 113.156 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.38 70.4 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 119.592 -1.943 . . . . 0.0 109.211 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.79 -33.82 76.0 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.895 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.562 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 11.2 tp60 -67.54 -10.54 52.71 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.583 -0.698 . . . . 0.0 109.966 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 352' ' ' THR . . . . . 0.439 ' C ' ' OE1' ' C' ' 60' ' ' GLU . 35.1 p -89.76 -7.72 53.82 Favored 'General case' 0 N--CA 1.502 2.171 0 C-N-CA 118.098 -1.441 . . . . 0.0 110.947 -178.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 353' ' ' LEU . . . . . 0.415 ' O ' ' CD ' ' C' ' 60' ' ' GLU . 94.2 mt -93.39 159.25 15.34 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.197 -0.939 . . . . 0.0 110.113 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 106.906 -2.477 . . . . 0.0 106.906 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.54 47.45 1.71 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.621 -1.517 . . . . 0.0 107.415 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.782 HG22 HG21 ' C' ' 56' ' ' THR . 80.6 p -81.46 172.53 13.4 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 118.811 -1.155 . . . . 0.0 109.175 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.69 140.93 57.31 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.812 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.18 79.0 Favored Glycine 0 N--CA 1.5 2.955 0 C-N-CA 120.0 -1.095 . . . . 0.0 111.379 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.48 135.85 34.07 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.875 -1.368 . . . . 0.0 110.591 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.46 123.68 48.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.492 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.12 160.06 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 C-N-CA 117.438 -1.705 . . . . 0.0 110.637 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.0 m -108.85 128.38 54.85 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.493 -1.38 . . . . 0.0 107.624 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.79 121.36 60.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.64 147.28 50.72 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -179.544 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.17 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 118.576 -1.25 . . . . 0.0 109.769 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.78 6.41 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 118.574 -1.251 . . . . 0.0 108.065 178.185 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.34 40.15 Favored Glycine 0 C--N 1.296 -1.687 0 C-N-CA 118.031 -2.033 . . . . 0.0 110.374 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.59 82.49 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.357 -0.922 . . . . 0.0 112.26 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.02 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 115.899 -2.32 . . . . 0.0 108.57 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.55 65.81 Favored 'General case' 0 N--CA 1.522 3.173 0 N-CA-C 116.855 2.168 . . . . 0.0 116.855 -174.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.45 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.89 -45.59 27.56 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 119.578 -1.951 . . . . 0.0 111.003 -176.549 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.773 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.58 -40.7 97.62 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.43 77.87 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 117.441 -1.704 . . . . 0.0 110.035 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.87 -42.29 88.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 CA-C-O 122.162 0.982 . . . . 0.0 109.203 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -55.76 -48.0 76.02 Favored 'General case' 0 C--N 1.285 -2.204 0 CA-C-O 122.091 0.948 . . . . 0.0 108.74 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.773 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.78 -38.32 76.67 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.733 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.6 mt -75.6 -28.6 58.94 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.421 -1.425 . . . . 0.0 110.897 -174.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.57 71.03 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.17 63.55 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.17 84.5 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 118.998 -1.081 . . . . 0.0 110.53 177.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.492 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.42 85.66 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.864 -1.147 . . . . 0.0 111.506 -177.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.83 -31.81 61.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.144 -0.973 . . . . 0.0 110.282 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.92 -32.26 45.59 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.472 -0.767 . . . . 0.0 111.315 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.14 125.52 12.5 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 124.392 2.044 . . . . 0.0 112.803 178.733 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.805 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.5 tt0 . . . . . 0 C--N 1.277 -2.548 0 CA-C-N 111.131 -2.758 . . . . 0.0 110.114 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -56.43 -174.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.502 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 6' ' ' GLU . 80.0 mm-40 -61.85 -79.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.1 mt -38.63 -34.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.38 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -64.24 -47.66 78.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.212 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 3' ' ' GLU . 96.8 mt-10 -67.94 -35.38 78.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.267 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.43 -42.98 98.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.392 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.647 HG21 HG13 ' A' ' 73' ' ' VAL . 79.5 t -60.94 -44.1 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.1 mtp -59.29 -41.44 88.98 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.39 -42.02 96.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.9 -42.9 99.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.236 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.07 -43.85 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.783 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.436 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.4 mt -64.03 -44.23 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.008 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -60.86 -47.1 87.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.816 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.2 m -59.5 -43.63 93.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.989 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' HA3' ' HE ' ' D' ' 317' ' ' ARG . . . -63.61 -42.1 98.9 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.542 ' OE1' ' NH2' ' D' ' 317' ' ' ARG . 26.2 mm100 -62.95 -44.88 94.83 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.33 77.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.865 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.35 -45.58 92.98 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.592 ' OG ' ' NH1' ' D' ' 317' ' ' ARG . 67.0 m -55.71 -44.38 77.37 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.54 -41.48 97.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.675 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.474 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -58.41 -48.28 81.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -58.82 -42.13 88.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.638 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HB3' ' CE ' ' A' ' 40' ' ' MET . . . -59.61 -39.94 85.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.775 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.39 86.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.702 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.23 -44.9 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.445 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.24 -43.87 74.98 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.2 mt-30 -61.81 -41.56 97.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.771 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.59 91.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.782 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.72 -28.35 69.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.118 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -80.82 -5.09 56.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.478 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.67 14.86 69.44 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -98.04 78.49 2.53 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.745 0.307 . . . . 0.0 110.265 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -65.42 -35.3 80.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.632 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.76 -50.62 70.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.043 0.449 . . . . 0.0 110.737 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.44 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -65.11 -35.7 81.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.35 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -47.1 84.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 41' ' ' MET . 88.8 tttt -59.58 -42.42 92.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.661 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.63 -37.38 87.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.405 ' CE ' ' HB3' ' A' ' 24' ' ' ALA . 87.5 mmm -64.77 -47.09 79.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.474 -178.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.455 ' O ' ' OG ' ' A' ' 44' ' ' SER . 20.0 ptm -65.02 -37.49 87.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.655 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -61.72 -48.45 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.514 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.38 -39.89 95.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.209 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -62.19 -44.52 96.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.53 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.765 HH21 HH12 ' A' ' 88' ' ' ARG . 41.4 ttm180 -60.3 -42.34 95.3 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.45 -42.04 98.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.266 0.555 . . . . 0.0 110.598 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.59 99.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.213 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.23 -40.25 93.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.644 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.26 -41.34 96.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.223 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.54 -39.68 92.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.223 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.32 -43.25 82.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.13 -37.98 89.38 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.37 -43.84 98.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.331 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.54 -43.47 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.101 0.477 . . . . 0.0 110.077 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.427 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 66.5 tp60 -59.83 -42.41 93.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.9 m -58.24 -42.13 85.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.988 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -40.22 97.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.962 0.41 . . . . 0.0 110.49 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.467 HD22 HD22 ' A' ' 4' ' ' LEU . 98.6 mt -62.41 -28.5 69.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.721 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.402 HG12 HD22 ' A' ' 74' ' ' LEU . 83.8 mt -84.7 -30.4 6.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.803 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -77.87 -16.13 58.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.34 -40.0 2.9 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -64.83 -42.25 95.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.61 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 97.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' H ' ' HB3' ' A' ' 67' ' ' LYS . . . -92.8 -176.54 41.19 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 57.5 mp0 -68.68 113.17 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.348 . . . . 0.0 110.736 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.57 2.57 88.13 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' HB3' ' H ' ' A' ' 64' ' ' GLY . 88.5 tttt -97.7 142.75 29.11 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.702 0.287 . . . . 0.0 110.454 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.8 mtt -65.5 140.11 58.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.631 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -85.99 -8.87 57.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.73 117.38 44.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.733 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.586 ' O ' HG23 ' A' ' 75' ' ' VAL . 83.2 p -129.33 162.21 28.49 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 178.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.5 mt -57.39 -45.31 84.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.528 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.647 HG13 HG21 ' A' ' 8' ' ' VAL . 54.2 t -64.08 -47.38 90.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.872 0.367 . . . . 0.0 110.53 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.402 HD22 HG12 ' A' ' 59' ' ' ILE . 90.0 mt -63.36 -41.51 98.83 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 71' ' ' SER . 56.4 t -59.71 -47.09 92.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.188 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.54 -45.4 91.9 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.331 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.427 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.16 -44.01 93.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.695 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.646 ' NE2' ' OE2' ' B' ' 76' ' ' GLU . 26.1 mt-30 -63.15 -40.03 96.39 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.17 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 83' ' ' THR . 44.5 tp -58.36 -46.79 85.61 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.369 -178.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -68.11 -47.32 68.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.3 -46.07 91.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.77 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.657 ' SD ' ' N ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -61.7 -43.73 98.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.24 -179.401 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.0 p -63.44 -48.14 78.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.133 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.6 m -61.44 -49.19 77.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.415 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 55.8 ttm -58.47 -47.08 85.22 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.512 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.02 -45.51 93.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.13 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.01 87.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.889 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.765 HH12 HH21 ' A' ' 45' ' ' ARG . 3.5 tmt_? -58.52 -45.36 88.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.143 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.8 mt-10 -62.23 -43.45 98.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.035 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.7 mt -64.02 -43.52 95.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.152 0.501 . . . . 0.0 109.879 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.474 HD12 ' HB1' ' A' ' 22' ' ' ALA . 81.8 mt -60.42 -42.34 90.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.1 m -57.21 -45.83 83.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.003 0.43 . . . . 0.0 109.869 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.33 -43.18 98.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.433 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 81.7 mt -59.15 -43.07 92.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.38 -42.54 94.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.534 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.499 ' CD ' ' NZ ' ' B' ' 30' ' ' LYS . 84.1 tt0 -61.72 -39.45 91.56 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 97' ' ' LEU . 37.7 mt -62.44 -40.8 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.927 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 62.3 m80 -60.27 -39.77 88.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.793 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.46 -39.3 87.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.157 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.76 -36.44 83.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.249 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.1 140.17 48.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.42 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -74.32 140.56 44.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.524 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.542 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -56.15 -174.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.577 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' B' ' 6' ' ' GLU . 80.0 mm-40 -62.19 -79.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.504 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.57 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.9 mt -38.6 -34.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.509 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -63.91 -48.31 77.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.86 0.362 . . . . 0.0 110.369 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' B' ' 3' ' ' GLU . 96.9 mt-10 -67.29 -35.71 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.195 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.33 -43.28 98.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.346 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.628 HG21 HG13 ' B' ' 73' ' ' VAL . 79.5 t -60.62 -44.09 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.87 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -59.39 -41.31 89.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.5 -42.04 95.96 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.99 -42.66 99.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.823 0.344 . . . . 0.0 110.394 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.17 -44.06 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.757 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.8 -44.2 98.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.943 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -61.05 -46.92 88.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.849 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 62.3 m -59.54 -43.62 93.46 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.12 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.77 -42.08 98.68 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -62.9 -44.59 95.68 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.1 78.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.908 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.55 -45.59 93.32 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -55.8 -44.25 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.46 -41.88 97.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.747 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.47 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -58.01 -48.46 79.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.447 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 19.9 m-85 -58.84 -41.84 87.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.708 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.401 ' HB3' ' CE ' ' B' ' 40' ' ' MET . . . -59.94 -39.82 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.765 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.73 87.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.629 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.96 -44.57 96.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.374 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.53 -44.05 76.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.449 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.0 mt-30 -61.55 -41.21 97.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.889 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.32 93.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.679 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.499 ' NZ ' ' CD ' ' A' ' 96' ' ' GLU . 67.4 mttm -61.9 -28.36 69.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.037 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -80.92 -5.3 57.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.06 14.59 69.0 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.76 78.49 2.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 110.349 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -65.51 -35.09 79.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.596 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.81 -50.28 71.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.793 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.449 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.42 -35.69 81.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.405 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.21 84.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.506 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' B' ' 41' ' ' MET . 88.8 tttt -59.53 -42.85 93.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.585 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.72 88.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.401 ' CE ' ' HB3' ' B' ' 24' ' ' ALA . 87.3 mmm -64.51 -46.84 81.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.45 ' CG ' ' O ' ' B' ' 38' ' ' LYS . 20.0 ptm -65.12 -37.64 88.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.583 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.78 -48.54 80.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.513 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.03 -40.14 96.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.295 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 41' ' ' MET . 77.7 p -61.99 -44.71 96.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.505 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.775 HH21 HH12 ' B' ' 88' ' ' ARG . 41.3 ttm180 -60.09 -42.49 94.77 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 59.2 mtt -61.26 -42.24 98.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.283 0.563 . . . . 0.0 110.627 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.63 99.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.145 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.15 -40.2 94.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.728 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.32 -41.38 96.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.396 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -65.33 -39.77 92.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.148 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.42 -43.31 81.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.399 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.98 -38.11 89.81 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.309 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 53' ' ' LEU . 40.5 mt -61.34 -43.82 98.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.349 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.54 -43.53 94.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.116 0.484 . . . . 0.0 110.095 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.416 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 66.5 tp60 -59.71 -42.39 92.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.278 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 87.8 m -58.29 -42.13 85.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.989 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.16 -40.06 96.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.447 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.47 HD22 HD22 ' B' ' 4' ' ' LEU . 98.2 mt -62.56 -28.55 69.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.415 HG12 HD22 ' B' ' 74' ' ' LEU . 81.6 mt -84.64 -30.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.763 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -77.94 -15.77 58.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.68 -39.88 2.85 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -65.15 -42.08 94.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.512 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.56 96.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.363 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.454 ' H ' ' HB3' ' B' ' 67' ' ' LYS . . . -92.64 -176.6 41.43 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.428 ' OE1' ' N ' ' B' ' 65' ' ' GLU . 59.2 mp0 -68.65 113.06 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.539 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.74 2.77 88.67 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.454 ' HB3' ' H ' ' B' ' 64' ' ' GLY . 88.6 tttt -97.83 142.86 29.07 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.62 0.248 . . . . 0.0 110.485 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 66.9 mtt -65.59 140.78 58.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.613 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -86.66 -8.44 57.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.789 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.7 t -101.02 117.38 46.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.733 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.62 ' O ' HG23 ' B' ' 75' ' ' VAL . 87.9 p -129.25 164.13 24.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.54 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.59 -45.33 92.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.607 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.628 HG13 HG21 ' B' ' 8' ' ' VAL . 54.7 t -62.99 -46.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.811 0.339 . . . . 0.0 110.674 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.415 HD22 HG12 ' B' ' 59' ' ' ILE . 91.5 mt -63.63 -41.13 98.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.117 0.485 . . . . 0.0 111.043 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 71' ' ' SER . 53.7 t -59.8 -47.17 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.294 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.646 ' OE2' ' NE2' ' A' ' 78' ' ' GLN . 38.8 tp10 -59.68 -45.49 91.92 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.266 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.416 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -63.93 -44.37 93.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.936 0.398 . . . . 0.0 110.371 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.639 ' NE2' ' OE2' ' C' ' 76' ' ' GLU . 26.0 mt-30 -62.88 -40.1 96.49 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 83' ' ' THR . 45.1 tp -58.26 -47.07 84.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.365 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -67.74 -47.69 68.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.784 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.13 -45.81 93.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.881 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' MET . . . . . 0.649 ' N ' ' SD ' ' B' ' 82' ' ' MET . 0.0 OUTLIER -61.8 -43.79 98.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.234 -179.478 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.514 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.4 p -63.56 -47.82 79.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.2 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.1 m -61.12 -49.41 77.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 55.8 ttm -58.37 -47.44 83.81 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.473 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.84 -45.65 92.88 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.084 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.43 -47.4 85.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.891 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.775 HH12 HH21 ' B' ' 45' ' ' ARG . 3.5 tmt_? -58.0 -45.5 86.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.245 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.452 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.6 mt-10 -62.0 -43.55 98.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.132 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.98 -43.4 95.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.039 0.447 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.47 HD12 ' HB1' ' B' ' 22' ' ' ALA . 82.0 mt -60.6 -41.79 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.186 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -57.82 -45.63 85.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.036 0.446 . . . . 0.0 109.888 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.4 -43.32 97.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.466 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.462 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 82.2 mt -59.09 -43.13 91.8 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.27 -42.86 95.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.505 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.51 ' CD ' ' NZ ' ' C' ' 30' ' ' LYS . 84.6 tt0 -61.38 -39.6 91.24 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.1 mt -62.35 -40.98 98.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.853 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 61.7 m80 -60.09 -39.64 86.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.826 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.47 -39.42 87.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.128 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.74 -36.19 83.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.209 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.26 140.26 48.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.342 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -74.65 140.43 44.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.586 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -56.71 -174.37 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.9 mm-40 -62.03 -79.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.283 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.591 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.1 mt -38.67 -33.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.356 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.08 -48.49 75.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.852 0.358 . . . . 0.0 110.374 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.0 mt-10 -67.17 -35.83 80.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.245 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.16 -43.01 98.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.361 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.591 HG21 HG13 ' C' ' 73' ' ' VAL . 79.3 t -60.91 -44.28 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.947 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.6 mtp -59.12 -41.46 88.24 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.48 -42.04 95.99 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' C' ' 11' ' ' LEU . 83.1 mt -62.71 -42.87 99.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.381 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.95 -44.1 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.689 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.68 -44.37 98.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.001 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -60.92 -47.01 88.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.877 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 64.3 m -59.48 -43.76 93.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.09 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.77 -41.66 98.82 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -63.37 -44.58 94.36 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.33 77.4 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.35 -45.57 93.02 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -55.78 -44.32 77.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.64 -41.36 97.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.733 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.478 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -58.52 -48.15 81.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.452 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 19.6 m-85 -59.0 -42.25 89.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.507 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ALA . . . . . 0.41 ' HB3' ' CE ' ' C' ' 40' ' ' MET . . . -59.66 -39.88 85.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.665 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.97 86.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.567 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.81 -44.6 96.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.44 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.51 -43.5 75.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.1 mt-30 -62.3 -41.25 98.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.838 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.21 92.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.806 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' LYS . . . . . 0.51 ' NZ ' ' CD ' ' B' ' 96' ' ' GLU . 67.4 mttm -62.11 -28.34 69.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.136 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -80.72 -5.29 56.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.448 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.14 14.27 69.53 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.67 78.54 2.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.689 0.28 . . . . 0.0 110.262 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -65.47 -35.37 80.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.544 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -50.08 72.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.025 0.44 . . . . 0.0 110.654 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ALA . . . . . 0.444 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.44 -35.92 82.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.429 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.09 84.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' C' ' 41' ' ' MET . 88.8 tttt -59.42 -43.16 93.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.61 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.42 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.743 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' MET . . . . . 0.41 ' CE ' ' HB3' ' C' ' 24' ' ' ALA . 86.4 mmm -64.56 -46.96 80.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -178.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.46 ' O ' ' OG ' ' C' ' 44' ' ' SER . 20.2 ptm -64.95 -38.05 89.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.58 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -61.6 -48.22 81.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.439 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -63.2 -40.29 97.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.331 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' C' ' 41' ' ' MET . 77.4 p -62.02 -44.22 97.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.593 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.78 HH21 HH12 ' C' ' 88' ' ' ARG . 41.3 ttm180 -60.45 -42.41 96.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.419 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 59.5 mtt -61.53 -42.03 98.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.333 0.587 . . . . 0.0 110.52 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.97 99.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.31 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.93 -40.42 95.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.723 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.25 -41.18 96.46 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.307 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.62 -39.44 91.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.066 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.81 -42.96 80.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.429 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.15 -37.93 89.18 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.356 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.76 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.343 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.88 -43.48 93.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.024 0.44 . . . . 0.0 109.959 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.422 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 66.4 tp60 -59.78 -42.5 93.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.222 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.782 HG21 HG22 ' D' ' 356' ' ' THR . 95.0 m -58.18 -41.99 85.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.13 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.29 -40.1 96.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.49 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.473 HD22 HD22 ' C' ' 4' ' ' LEU . 97.9 mt -62.12 -28.91 69.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.411 HG12 HD22 ' C' ' 74' ' ' LEU . 83.9 mt -84.36 -30.39 7.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.562 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 -77.88 -16.04 58.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.482 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.38 -39.69 2.96 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -65.54 -41.54 92.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.801 0.334 . . . . 0.0 110.525 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.83 96.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.496 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' GLY . . . . . 0.462 ' H ' ' HB3' ' C' ' 67' ' ' LYS . . . -92.86 -176.45 41.11 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 65' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' C' ' 65' ' ' GLU . 59.3 mp0 -68.7 113.07 5.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.353 . . . . 0.0 110.579 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.47 2.91 88.45 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.462 ' HB3' ' H ' ' C' ' 64' ' ' GLY . 88.6 tttt -97.7 142.71 29.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.612 0.244 . . . . 0.0 110.527 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 66.8 mtt -65.74 140.99 58.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.565 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -86.93 -8.32 57.35 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 17.2 t -100.57 116.85 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.727 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.629 ' O ' HG23 ' C' ' 75' ' ' VAL . 88.0 p -127.89 166.52 18.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.519 -179.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' C' ' 72' ' ' LEU . 23.0 mt -61.36 -44.49 97.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.615 -177.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.591 HG13 HG21 ' C' ' 8' ' ' VAL . 56.0 t -64.39 -47.27 90.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 130.08 3.352 . . . . 0.0 110.599 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.411 HD22 HG12 ' C' ' 59' ' ' ILE . 91.5 mt -65.55 -40.93 93.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.629 HG23 ' O ' ' C' ' 71' ' ' SER . 57.5 t -60.16 -47.56 91.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.215 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.639 ' OE2' ' NE2' ' B' ' 78' ' ' GLN . 39.3 tp10 -59.67 -45.32 92.43 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.323 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.422 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -64.13 -44.69 91.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.889 0.376 . . . . 0.0 110.419 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 78' ' ' GLN . . . . . 0.503 ' O ' ' SD ' ' C' ' 82' ' ' MET . 26.0 mt-30 -62.53 -40.42 96.72 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.23 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.505 ' O ' HG23 ' C' ' 83' ' ' THR . 44.3 tp -57.94 -47.4 83.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.445 -179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -67.39 -47.71 69.53 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.762 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.09 -46.02 92.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.805 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 82' ' ' MET . . . . . 0.656 ' SD ' ' N ' ' C' ' 82' ' ' MET . 0.0 OUTLIER -61.58 -43.86 98.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.505 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.9 p -63.5 -47.88 79.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.156 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 66.4 m -61.46 -49.36 77.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.552 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 56.2 ttm -58.1 -47.31 83.62 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.547 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.04 -45.67 92.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.146 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.07 -47.6 84.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.88 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.78 HH12 HH21 ' C' ' 45' ' ' ARG . 3.5 tmt_? -58.14 -45.25 87.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.23 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.93 -43.76 98.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.176 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.93 -43.32 96.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.168 0.509 . . . . 0.0 109.952 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.478 HD12 ' HB1' ' C' ' 22' ' ' ALA . 82.6 mt -60.65 -41.96 90.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.439 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.51 -45.63 84.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.008 0.432 . . . . 0.0 109.937 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.69 -43.02 97.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.514 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.48 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 82.5 mt -59.22 -42.97 92.26 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.5 -42.68 94.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.5 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.49 -39.38 90.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.37 -41.28 98.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.81 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.48 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 62.2 m80 -59.9 -39.66 86.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.776 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.62 -39.41 88.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.045 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.58 -36.51 84.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.217 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.7 mt -72.06 140.13 48.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.372 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -74.38 140.55 44.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.416 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.535 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.525 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.716 0 CA-C-O 121.869 0.842 . . . . 0.0 108.956 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.78 143.02 36.7 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.34 38.63 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.968 -1.082 . . . . 0.0 109.504 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.15 28.47 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.33 18.93 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.06 -1.025 . . . . 0.0 108.394 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.37 19.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.76 136.64 37.02 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 122.109 0.957 . . . . 0.0 110.146 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.95 114.3 24.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.2 p -106.79 -4.35 19.42 Favored 'General case' 0 C--N 1.266 -3.054 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.47 141.83 85.92 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.779 -1.825 . . . . 0.0 110.605 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -45.51 -47.66 12.93 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 124.746 3.631 . . . . 0.0 114.139 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -102.17 27.51 6.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 116.07 -2.252 . . . . 0.0 108.771 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.06 -142.07 48.37 Favored Glycine 0 N--CA 1.497 2.74 0 C-N-CA 117.674 -2.203 . . . . 0.0 109.562 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.2 tp -88.44 65.7 8.01 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.931 -1.335 . . . . 0.0 109.522 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 315' ' ' HIS . . . . . 0.5 ' HE1' ' OXT' ' D' ' 385' ' ' GLU . 0.7 OUTLIER -54.77 177.66 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 117.863 -1.535 . . . . 0.0 112.163 -178.255 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.0 OUTLIER -45.23 -66.35 0.41 Allowed 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 117.271 2.323 . . . . 0.0 117.271 -176.892 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.557 ' N ' ' OG1' ' D' ' 316' ' ' THR . 7.3 tmm_? -56.11 -50.4 87.61 Favored Pre-proline 0 N--CA 1.493 1.678 0 C-N-CA 120.205 -0.598 . . . . 0.0 112.476 -177.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.8 Cg_endo -63.81 -32.26 67.31 Favored 'Trans proline' 0 C--N 1.317 -1.121 0 C-N-CA 120.955 1.104 . . . . 0.0 111.477 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.516 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.85 86.8 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.259 -0.901 . . . . 0.0 109.495 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.435 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.93 -39.7 72.51 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.93 -39.45 94.2 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 117.941 -1.504 . . . . 0.0 109.469 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.63 -45.34 93.29 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 122.533 1.158 . . . . 0.0 108.654 -177.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.516 HG23 ' O ' ' D' ' 319' ' ' ALA . 68.8 t -62.67 -42.21 95.22 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.275 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.71 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.94 -40.22 95.95 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.247 -0.908 . . . . 0.0 109.74 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.66 80.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.835 . . . . 0.0 109.602 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.03 91.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.608 -1.307 . . . . 0.0 109.422 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.27 -16.25 43.55 Favored 'General case' 0 N--CA 1.512 2.637 0 O-C-N 121.311 -0.868 . . . . 0.0 113.3 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.57 86.13 Favored Glycine 0 N--CA 1.478 1.482 0 O-C-N 119.908 -1.745 . . . . 0.0 109.287 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.47 143.37 32.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.273 -1.722 . . . . 0.0 110.002 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.6 -30.1 59.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.23 -0.919 . . . . 0.0 112.315 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.48 10.24 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 119.791 -1.818 . . . . 0.0 112.829 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.83 130.24 35.48 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 171.223 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.73 136.65 60.19 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-O 122.25 1.024 . . . . 0.0 109.275 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.98 143.24 51.0 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 123.058 1.409 . . . . 0.0 109.965 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.18 129.97 61.54 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.719 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 173.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.5 m -127.49 119.66 26.58 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.875 -1.141 . . . . 0.0 108.885 -178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.58 122.58 39.2 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.594 -0.692 . . . . 0.0 109.872 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.69 38.97 24.24 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.896 -1.127 . . . . 0.0 112.773 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.99 83.54 Favored Glycine 0 N--CA 1.5 2.96 0 O-C-N 119.881 -1.762 . . . . 0.0 112.528 177.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.84 136.19 54.58 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 177.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.76 158.52 33.1 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-O 123.774 1.749 . . . . 0.0 112.411 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.38 Favored 'General case' 0 C--N 1.278 -2.54 0 CA-C-N 112.511 -2.131 . . . . 0.0 108.626 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.58 135.95 48.88 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 173.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.94 -6.84 47.96 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.726 -1.234 . . . . 0.0 110.733 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.51 13.05 31.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.715 -1.24 . . . . 0.0 109.361 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.1 m -133.12 104.06 6.33 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.206 1.003 . . . . 0.0 110.13 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.16 -37.95 72.84 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.977 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -58.92 -51.26 70.81 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.609 -1.307 . . . . 0.0 113.072 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.14 -32.41 70.39 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 119.579 -1.951 . . . . 0.0 109.184 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.78 -33.74 75.8 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.905 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.516 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 5.9 tm0? -67.75 -10.38 52.07 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.644 -0.66 . . . . 0.0 109.934 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.2 p -89.8 -7.69 53.8 Favored 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 118.112 -1.435 . . . . 0.0 110.954 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.37 159.34 15.3 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.244 -0.91 . . . . 0.0 110.119 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.76 104.94 2.98 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 106.887 -2.485 . . . . 0.0 106.887 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.5 mt -119.65 47.35 1.73 Allowed 'General case' 0 C--N 1.309 -1.175 0 O-C-N 120.721 -1.458 . . . . 0.0 107.394 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 62.1 p -81.35 172.55 13.44 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.269 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -60.7 140.88 57.35 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.329 -0.948 . . . . 0.0 109.864 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.08 79.01 Favored Glycine 0 N--CA 1.5 2.959 0 O-C-N 121.009 -1.057 . . . . 0.0 111.303 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.43 135.94 34.06 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 120.927 -1.337 . . . . 0.0 110.557 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.56 123.62 48.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 176.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.486 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.13 160.08 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.347 0 C-N-CA 117.346 -1.742 . . . . 0.0 110.66 178.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.5 m -108.85 128.29 54.78 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.517 -1.365 . . . . 0.0 107.678 175.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.77 121.35 60.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 176.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.29 50.71 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -179.55 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.79 153.37 47.11 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.736 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.525 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.77 6.42 Favored 'General case' 0 C--N 1.288 -2.08 0 C-N-CA 118.556 -1.258 . . . . 0.0 108.052 178.204 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.29 40.14 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 117.981 -2.056 . . . . 0.0 110.351 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.48 -40.56 83.07 Favored 'General case' 0 C--N 1.276 -2.629 0 CA-C-N 114.441 -0.879 . . . . 0.0 112.167 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.09 36.88 3.51 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 115.845 -2.342 . . . . 0.0 108.55 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.42 -33.52 65.9 Favored 'General case' 0 N--CA 1.521 3.105 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.447 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.65 27.51 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.624 -1.922 . . . . 0.0 110.965 -176.592 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.763 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.46 -40.78 98.05 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.55 77.43 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 117.456 -1.698 . . . . 0.0 110.038 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.76 -42.24 89.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 CA-C-O 122.29 1.043 . . . . 0.0 109.319 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.91 -47.93 76.57 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-O 122.068 0.937 . . . . 0.0 108.762 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.763 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.69 -38.43 76.99 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.695 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.439 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.5 mt -75.6 -28.55 58.95 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.361 -1.462 . . . . 0.0 110.912 -174.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.48 70.74 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.3 62.75 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.24 -45.23 84.12 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 118.975 -1.09 . . . . 0.0 110.558 177.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.486 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.36 -37.3 85.16 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.925 -1.109 . . . . 0.0 111.602 -177.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.79 61.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.188 -0.945 . . . . 0.0 110.264 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.87 -32.36 45.89 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.501 -0.749 . . . . 0.0 111.27 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.5 12.37 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 124.337 2.017 . . . . 0.0 112.83 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.555 0 CA-C-N 111.127 -2.76 . . . . 0.0 110.127 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -57.32 -38.13 73.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.569 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 6' ' ' GLU . 96.9 mt-10 -62.39 -69.09 0.28 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.418 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.9 mt -37.5 -39.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.429 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.62 -47.38 78.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.9 0.381 . . . . 0.0 110.278 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 3' ' ' GLU . 70.9 mm-40 -66.66 -37.55 85.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.264 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.496 HG11 HD11 ' A' ' 58' ' ' LEU . 74.2 t -63.05 -42.48 96.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.386 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 4' ' ' LEU . 77.8 t -60.13 -45.22 96.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.927 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mtp -58.72 -40.94 85.17 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.83 -42.25 97.12 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.96 -42.84 99.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.251 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' CG2' ' OG1' ' D' ' 316' ' ' THR . 93.6 mt -62.73 -44.49 99.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.759 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.435 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.9 mt -63.0 -43.69 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.02 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.34 -46.34 90.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.713 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.4 m -59.93 -44.29 94.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.001 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.7 99.84 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.41 -41.95 98.73 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.08 -49.1 78.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.877 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -60.42 -45.76 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.41 ' HG ' HH21 ' D' ' 317' ' ' ARG . 67.1 m -54.5 -43.77 72.11 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.53 -41.71 99.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.716 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -58.88 -49.44 77.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -60.02 -42.21 93.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.587 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.46 96.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.744 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.76 89.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.605 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.6 -46.0 91.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.46 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -55.64 -42.88 75.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.17 0.509 . . . . 0.0 109.631 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.672 ' NE2' ' HB1' ' A' ' 36' ' ' ALA . 98.0 mt-30 -60.43 -41.25 93.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.813 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.43 93.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.711 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.61 -29.54 70.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.135 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -83.11 -5.42 59.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.445 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 18.56 64.14 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -100.88 78.65 1.96 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.777 0.323 . . . . 0.0 110.285 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -65.43 -33.44 75.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.645 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -48.44 79.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.148 0.499 . . . . 0.0 110.773 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.672 ' HB1' ' NE2' ' A' ' 28' ' ' GLN . . . -65.5 -34.95 79.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.382 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.73 87.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.614 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.48 -41.89 97.94 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.626 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.2 94.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.586 ' CE ' ' NE2' ' A' ' 28' ' ' GLN . 45.9 mtt -65.55 -40.65 93.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.463 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.501 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 19.1 mmt -62.51 -42.9 99.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.632 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -62.39 -45.59 92.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.996 0.426 . . . . 0.0 110.551 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.2 -41.99 96.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.21 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.43 -46.35 90.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.559 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -60.47 -43.16 97.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.61 -42.57 99.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.141 0.496 . . . . 0.0 110.621 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.05 98.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.162 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 18' ' ' ALA . 97.6 mt -65.59 -39.94 92.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.74 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -61.29 -41.41 96.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.274 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.28 -39.6 92.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.198 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.532 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -67.46 -45.1 76.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.422 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.7 -38.73 88.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.381 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.19 -43.74 98.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.92 -43.77 97.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.04 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.743 HE22 HD23 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -60.15 -41.64 93.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.301 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.4 m -56.89 -44.1 81.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.996 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.74 -40.19 96.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.534 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.496 HD11 HG11 ' A' ' 7' ' ' VAL . 98.3 mt -62.94 -31.01 72.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.669 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -86.5 -31.34 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.829 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -83.19 -8.07 59.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.528 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.56 141.98 44.9 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -91.66 -2.1 57.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.33 . . . . 0.0 110.539 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.27 52.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.31 119.45 6.51 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.546 ' C ' ' H ' ' A' ' 67' ' ' LYS . 84.2 tt0 -91.72 105.63 17.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.899 0.38 . . . . 0.0 110.695 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.79 -35.54 0.23 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.546 ' H ' ' C ' ' A' ' 65' ' ' GLU . 99.4 mttt -79.23 139.05 38.03 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.718 0.294 . . . . 0.0 110.409 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.5 ttm -68.58 -89.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.594 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -128.72 -20.16 3.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -97.67 116.84 41.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.726 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 75' ' ' VAL . 85.4 p -131.28 163.25 28.22 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.4 mt -56.89 -44.11 81.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.592 HG13 HG21 ' A' ' 8' ' ' VAL . 54.7 t -63.49 -47.93 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.887 0.375 . . . . 0.0 110.551 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.743 HD23 HE22 ' A' ' 55' ' ' GLN . 83.5 mt -63.79 -42.5 97.73 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 71' ' ' SER . 53.2 t -59.86 -47.74 90.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.178 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.93 -45.32 90.69 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.271 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.65 96.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.606 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -64.54 -40.17 95.1 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.181 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 83' ' ' THR . 40.5 tp -57.51 -47.62 81.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.361 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.42 ' NE2' HG21 ' D' ' 316' ' ' THR . 56.2 m80 -67.45 -48.2 67.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.725 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.532 HD21 ' HB1' ' A' ' 51' ' ' ALA . 14.4 mt -61.57 -45.26 94.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.872 -178.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.8 -45.05 95.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.7 p -62.15 -47.21 85.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.076 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -62.23 -47.84 82.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.441 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -58.68 -48.28 81.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.61 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.89 -45.23 95.43 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.127 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.54 88.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.801 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -61.6 -45.35 94.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.073 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 95.5 mt-10 -61.2 -49.67 76.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.107 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.37 -41.71 96.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.219 0.533 . . . . 0.0 109.883 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.493 HD13 ' HB1' ' A' ' 22' ' ' ALA . 31.5 mt -59.77 -42.11 87.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.501 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 98.3 m -58.32 -45.96 87.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.988 0.423 . . . . 0.0 109.872 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.7 -42.51 99.68 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 13.9 mt -59.6 -43.19 93.79 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.21 -42.33 93.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.582 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.89 -39.43 85.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.804 HD21 ' NE2' ' B' ' 98' ' ' HIS . 36.7 mt -62.07 -41.71 98.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.887 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.567 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 75.5 m80 -60.04 -40.2 88.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 102' ' ' LYS . 81.2 tt0 -64.04 -38.51 91.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.217 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -62.69 -39.88 95.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.24 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.52 -42.18 99.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.43 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.3 mttt -91.71 142.51 27.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.515 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.576 -179.805 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -57.56 -37.88 73.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.0 mt-10 -62.72 -68.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.481 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.65 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.9 mt -37.75 -39.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.504 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.39 -47.33 79.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.942 0.401 . . . . 0.0 110.396 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' B' ' 3' ' ' GLU . 71.3 mm-40 -66.7 -37.81 85.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.125 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.483 HG11 HD11 ' B' ' 58' ' ' LEU . 74.9 t -62.74 -42.56 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.371 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.65 HG23 ' O ' ' B' ' 4' ' ' LEU . 75.8 t -60.14 -45.17 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.896 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.09 -40.59 85.74 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.0 -42.17 96.92 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 11' ' ' LEU . 83.6 mt -63.01 -42.78 99.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.794 0.331 . . . . 0.0 110.382 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.06 -44.41 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.691 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.98 -43.82 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.94 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.09 -46.34 91.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.872 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 68.1 m -59.94 -44.28 94.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.059 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.99 -41.89 99.8 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.16 -42.14 99.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.483 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.89 -48.88 78.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.878 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.76 -45.7 93.32 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -54.45 -43.51 71.71 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.81 -41.97 99.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.688 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -58.98 -48.94 79.75 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.468 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.7 m-85 -60.22 -42.06 94.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.634 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.91 95.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.694 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.95 88.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.613 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.4 -46.23 91.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.309 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -55.59 -43.14 75.72 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.692 ' NE2' ' HB1' ' B' ' 36' ' ' ALA . 98.0 mt-30 -60.17 -40.99 91.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.869 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.12 94.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.765 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.95 -29.36 70.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.004 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -83.22 -5.9 59.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.405 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.0 18.17 63.7 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -100.64 78.01 1.95 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.762 0.315 . . . . 0.0 110.331 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -65.09 -33.49 76.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.635 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.84 77.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.048 0.451 . . . . 0.0 110.757 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.692 ' HB1' ' NE2' ' B' ' 28' ' ' GLN . . . -65.25 -34.78 79.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.393 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.0 86.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.543 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.31 -42.05 98.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.597 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.43 93.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.659 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' MET . . . . . 0.596 ' CE ' ' NE2' ' B' ' 28' ' ' GLN . 46.1 mtt -65.44 -40.81 93.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.445 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 18.6 mmt -62.41 -43.02 99.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.599 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.32 -45.9 91.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.414 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.7 -41.97 98.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.3 t -61.53 -46.59 89.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.529 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.36 -43.06 96.89 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.345 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 94.0 mtp -61.55 -42.73 99.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.295 0.569 . . . . 0.0 110.625 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.8 98.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.158 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.483 HD21 ' CB ' ' B' ' 18' ' ' ALA . 96.4 mt -65.96 -39.96 90.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.741 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 51.0 t-20 -61.03 -41.47 96.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.349 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.34 -39.69 92.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.185 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.532 ' HB1' HD21 ' B' ' 81' ' ' LEU . . . -67.38 -44.94 77.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.472 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.93 -38.66 89.29 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.302 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.24 -43.89 98.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.277 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.67 -43.98 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.998 0.428 . . . . 0.0 110.081 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.765 HE22 HD23 ' B' ' 74' ' ' LEU . 0.6 OUTLIER -60.11 -41.73 93.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.276 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 74.5 m -56.74 -43.94 81.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.0 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.04 -40.0 95.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.489 HD22 ' CD2' ' B' ' 4' ' ' LEU . 98.3 mt -63.15 -30.82 71.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.669 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -86.64 -31.24 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.745 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -83.0 -8.87 59.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.9 141.94 45.8 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -91.97 -1.77 57.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 110.562 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.63 53.18 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.462 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.57 119.87 6.65 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.553 ' C ' ' H ' ' B' ' 67' ' ' LYS . 84.3 tt0 -91.76 105.58 17.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.317 . . . . 0.0 110.608 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.06 -35.89 0.24 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.553 ' H ' ' C ' ' B' ' 65' ' ' GLU . 99.5 mttt -78.8 139.57 38.37 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.626 0.251 . . . . 0.0 110.482 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 28.9 ttm -69.29 -89.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -129.05 -19.45 3.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.2 t -99.35 116.49 42.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.74 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.541 ' O ' HG23 ' B' ' 75' ' ' VAL . 97.8 p -130.57 166.12 21.29 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.5 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.38 -43.69 96.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.538 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.591 HG13 HG21 ' B' ' 8' ' ' VAL . 56.0 t -62.65 -47.05 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.659 -178.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.765 HD23 HE22 ' B' ' 55' ' ' GLN . 82.7 mt -64.23 -41.89 96.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 71' ' ' SER . 53.5 t -60.36 -47.9 90.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.354 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -58.58 -45.83 88.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.303 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.29 97.14 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.861 0.362 . . . . 0.0 110.402 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -63.88 -40.42 96.47 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.209 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.472 ' O ' HG23 ' B' ' 83' ' ' THR . 40.3 tp -57.27 -47.96 80.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.38 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -67.33 -47.62 69.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.781 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.532 HD21 ' HB1' ' B' ' 51' ' ' ALA . 14.2 mt -62.16 -45.0 95.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.32 -44.28 96.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.238 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.472 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.6 p -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.151 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.39 -47.82 82.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.58 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.47 -48.53 80.45 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.474 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.74 -45.32 94.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.1 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.54 88.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.876 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.57 -45.36 94.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.251 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.463 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.3 mt-10 -61.17 -49.11 78.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.146 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.22 -41.21 94.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.0 109.975 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.495 HD13 ' HB1' ' B' ' 22' ' ' ALA . 31.9 mt -59.91 -42.05 88.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.216 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.445 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 98.9 m -58.56 -45.75 88.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.056 0.455 . . . . 0.0 109.818 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.92 -42.22 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.557 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.0 mt -59.96 -43.25 95.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.21 -42.22 92.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.56 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -59.8 -39.56 85.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.759 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.811 HD21 ' NE2' ' C' ' 98' ' ' HIS . 35.8 mt -62.15 -41.44 98.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.829 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.804 ' NE2' HD21 ' A' ' 97' ' ' LEU . 75.6 m80 -60.02 -40.44 89.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.78 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' B' ' 102' ' ' LYS . 81.1 tt0 -63.9 -38.4 90.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.142 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -62.94 -39.8 95.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.177 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.45 -42.28 99.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.406 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.3 mttt -91.78 142.54 27.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.39 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.57 -179.714 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -57.6 -38.04 74.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.628 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' C' ' 6' ' ' GLU . 96.9 mt-10 -62.41 -68.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.375 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.646 ' O ' HG23 ' C' ' 8' ' ' VAL . 98.5 mt -37.97 -39.44 0.38 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.449 -179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.4 -47.35 79.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.859 0.361 . . . . 0.0 110.396 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' C' ' 3' ' ' GLU . 71.2 mm-40 -66.65 -37.24 84.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.354 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.502 HG11 HD11 ' C' ' 58' ' ' LEU . 74.9 t -63.39 -42.01 94.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.387 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.646 HG23 ' O ' ' C' ' 4' ' ' LEU . 74.7 t -60.63 -45.1 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.012 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.04 -40.52 85.32 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.11 -42.3 96.64 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.8 -42.84 99.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.321 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.07 -44.3 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.688 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.87 -44.12 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.057 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -61.01 -46.73 89.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.819 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 67.4 m -59.33 -44.29 92.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.197 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.96 -42.02 99.77 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.25 -41.93 99.12 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.487 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -57.74 -49.5 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.36 -45.98 91.58 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.2 m -54.31 -43.65 71.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.45 -42.24 99.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.762 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.492 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -58.49 -49.3 77.84 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.463 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.5 m-85 -60.17 -42.32 94.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.477 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.47 96.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.82 89.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.524 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.67 -45.67 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.484 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -56.04 -42.57 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' GLN . . . . . 0.692 ' NE2' ' HB1' ' C' ' 36' ' ' ALA . 97.8 mt-30 -60.88 -40.54 93.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.96 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.61 95.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.796 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.39 -29.72 70.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.041 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -83.02 -5.52 59.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.458 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.43 18.54 64.04 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.87 78.36 1.94 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.826 0.346 . . . . 0.0 110.317 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -65.32 -33.64 76.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.59 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.73 78.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.96 0.41 . . . . 0.0 110.644 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ALA . . . . . 0.692 ' HB1' ' NE2' ' C' ' 28' ' ' GLN . . . -65.41 -35.14 80.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.422 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.8 87.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.487 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.662 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.51 93.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.694 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' MET . . . . . 0.576 ' CE ' ' NE2' ' C' ' 28' ' ' GLN . 46.0 mtt -65.42 -40.62 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.572 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.483 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 19.2 mmt -62.25 -43.35 99.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.575 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.41 -45.85 91.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.443 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.7 -41.97 98.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.31 -46.69 89.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.561 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -60.55 -42.83 97.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.343 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.0 mtp -61.7 -42.66 99.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.259 0.552 . . . . 0.0 110.495 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.13 98.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.322 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.487 HD21 ' CB ' ' C' ' 18' ' ' ALA . 96.9 mt -65.73 -39.81 91.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.731 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 51.3 t-20 -61.38 -41.57 97.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.352 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -64.92 -40.11 94.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.048 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' C' ' 81' ' ' LEU . . . -67.1 -45.38 77.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.423 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -61.5 -38.5 87.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.302 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 41.1 mt -61.73 -43.37 98.99 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.311 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -64.03 -43.87 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.015 0.436 . . . . 0.0 109.977 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.763 HE22 HD23 ' C' ' 74' ' ' LEU . 0.6 OUTLIER -60.23 -41.92 94.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.237 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 76.7 m -56.37 -44.17 79.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.176 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.92 -40.15 95.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.496 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.502 HD11 HG11 ' C' ' 7' ' ' VAL . 98.4 mt -62.82 -30.76 71.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -86.68 -31.23 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.8 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.516 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 78.3 mm-40 -83.14 -8.87 59.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.439 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.94 142.02 45.84 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -92.07 -1.76 57.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.849 0.357 . . . . 0.0 110.508 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.46 53.02 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.486 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.42 119.81 6.64 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' GLU . . . . . 0.558 ' C ' ' H ' ' C' ' 67' ' ' LYS . 83.7 tt0 -91.74 105.69 17.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.762 0.315 . . . . 0.0 110.61 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.84 -35.77 0.23 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' C' ' 65' ' ' GLU . 99.6 mttt -78.71 139.36 38.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.641 0.258 . . . . 0.0 110.562 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 29.3 ttm -69.14 -89.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -129.1 -19.53 3.54 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 t -98.8 116.24 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.705 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.553 ' O ' HG23 ' C' ' 75' ' ' VAL . 99.5 p -129.64 168.28 16.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.494 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.95 -43.22 99.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.627 -177.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.538 HG13 HG21 ' C' ' 8' ' ' VAL . 53.7 t -63.69 -47.2 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 130.181 3.393 . . . . 0.0 110.621 -178.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.763 HD23 HE22 ' C' ' 55' ' ' GLN . 85.9 mt -66.68 -41.68 87.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.066 0.46 . . . . 0.0 110.943 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.553 HG23 ' O ' ' C' ' 71' ' ' SER . 54.4 t -60.61 -48.02 90.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.251 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -58.94 -45.62 89.98 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.75 96.82 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.824 0.345 . . . . 0.0 110.358 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -64.44 -40.22 95.32 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.484 ' O ' HG23 ' C' ' 83' ' ' THR . 39.0 tp -57.36 -47.87 80.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.485 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -67.35 -48.14 68.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.727 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 81' ' ' LEU . . . . . 0.539 HD21 ' HB1' ' C' ' 51' ' ' ALA . 14.1 mt -61.68 -45.37 94.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.844 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.77 -44.41 96.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.381 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.484 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.0 p -62.67 -47.36 84.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.186 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.02 -47.77 83.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.613 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -58.52 -48.48 80.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.491 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.84 -45.35 94.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.164 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.94 -46.72 87.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.945 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.33 -45.6 93.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.113 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.94 -49.04 79.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 0.0 110.13 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.36 -41.49 93.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.147 0.499 . . . . 0.0 109.984 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.492 HD13 ' HB1' ' C' ' 22' ' ' ALA . 32.1 mt -59.66 -42.24 87.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.39 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.483 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 98.1 m -58.23 -45.92 86.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.065 0.459 . . . . 0.0 109.918 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.84 -42.25 99.67 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.0 mt -59.94 -42.92 95.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.32 -42.22 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.602 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.05 -39.15 84.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.778 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.51 HD21 ' NE2' ' A' ' 98' ' ' HIS . 37.5 mt -62.19 -41.88 98.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.914 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.811 ' NE2' HD21 ' B' ' 97' ' ' LEU . 76.0 m80 -59.79 -40.4 88.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.794 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.482 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.5 tt0 -63.95 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.159 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.79 -39.76 95.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.209 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.54 -42.51 99.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.256 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.3 mttt -91.41 142.78 27.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.527 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.512 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.518 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 121.89 0.852 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.461 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.71 142.97 36.84 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.02 156.23 38.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.046 -1.034 . . . . 0.0 109.558 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.1 149.17 28.51 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.16 152.31 18.94 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.04 -1.037 . . . . 0.0 108.434 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.8 144.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.7 136.66 36.92 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.144 0.973 . . . . 0.0 110.125 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 308' ' ' ILE . . . . . 0.404 HD13 HG21 ' D' ' 308' ' ' ILE . 50.7 mt -85.03 114.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 177.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.92 -4.28 19.29 Favored 'General case' 0 C--N 1.265 -3.106 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.77 85.66 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 119.658 -1.901 . . . . 0.0 110.591 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -45.39 -47.7 12.62 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 124.72 3.613 . . . . 0.0 114.181 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.443 ' ND2' ' ND1' ' D' ' 315' ' ' HIS . 50.5 p30 -102.13 27.52 6.58 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 116.075 -2.25 . . . . 0.0 108.779 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.52 -145.21 48.85 Favored Glycine 0 N--CA 1.496 2.697 0 C-N-CA 117.74 -2.172 . . . . 0.0 109.623 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.4 tp -97.58 80.67 2.85 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.866 -1.373 . . . . 0.0 109.555 -176.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 315' ' ' HIS . . . . . 0.443 ' ND1' ' ND2' ' D' ' 312' ' ' ASN . 7.9 p-80 -83.15 174.46 10.78 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 117.896 -1.522 . . . . 0.0 112.132 -178.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.8 p -30.5 -69.03 0.07 Allowed 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 117.277 2.325 . . . . 0.0 117.277 -176.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.536 ' N ' ' OG1' ' D' ' 316' ' ' THR . 4.2 tpt85 -48.71 -60.57 4.36 Favored Pre-proline 0 N--CA 1.494 1.73 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.529 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.13 -32.28 63.82 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.937 1.758 . . . . 0.0 111.485 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.47 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.0 -38.85 86.76 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.476 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.78 72.73 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.89 -39.44 94.2 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 118.036 -1.466 . . . . 0.0 109.504 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.66 -45.36 93.16 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 122.61 1.195 . . . . 0.0 108.651 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.618 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 53.0 t -62.68 -42.17 95.07 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.285 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.649 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.517 ' NZ ' HD13 ' A' ' 13' ' ' ILE . 80.1 mttt -63.98 -40.23 95.92 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.268 -0.895 . . . . 0.0 109.751 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.524 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.66 80.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.49 -0.756 . . . . 0.0 109.578 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.02 91.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.645 -1.284 . . . . 0.0 109.411 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 327' ' ' LYS . . . . . 0.618 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.3 mttp -61.35 -16.23 44.13 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.337 -0.852 . . . . 0.0 113.264 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.55 86.1 Favored Glycine 0 N--CA 1.479 1.541 0 O-C-N 119.946 -1.721 . . . . 0.0 109.344 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.411 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.48 143.34 32.84 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.295 -1.709 . . . . 0.0 109.944 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.67 -30.03 59.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.206 -0.934 . . . . 0.0 112.293 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.83 158.59 10.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 119.765 -1.835 . . . . 0.0 112.796 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.98 130.16 35.25 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 102.827 -3.027 . . . . 0.0 102.827 171.295 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.65 136.53 60.54 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 O-C-N 121.101 -1.0 . . . . 0.0 109.34 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.84 143.23 50.93 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-O 123.041 1.401 . . . . 0.0 110.015 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.8 t -108.16 129.92 61.59 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.754 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 173.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.417 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.8 m -127.45 119.69 26.68 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.898 -1.126 . . . . 0.0 108.894 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.67 122.57 39.1 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.507 -0.746 . . . . 0.0 109.921 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.72 39.05 24.51 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.917 -1.114 . . . . 0.0 112.797 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 10.98 83.66 Favored Glycine 0 N--CA 1.502 3.047 0 O-C-N 119.97 -1.706 . . . . 0.0 112.572 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.81 136.3 54.52 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.81 158.54 33.13 Favored 'General case' 0 C--N 1.275 -2.671 0 CA-C-O 123.8 1.762 . . . . 0.0 112.424 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.36 31.31 Favored 'General case' 0 C--N 1.279 -2.497 0 CA-C-N 112.501 -2.136 . . . . 0.0 108.604 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.59 136.02 48.9 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 105.553 -2.018 . . . . 0.0 105.553 173.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.81 47.94 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.69 -1.256 . . . . 0.0 110.753 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.45 12.93 31.57 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.679 -1.263 . . . . 0.0 109.39 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 84.5 p -133.05 104.22 6.42 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 122.195 0.998 . . . . 0.0 110.091 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 43.1 tp -57.34 -37.87 73.22 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.94 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -58.9 -51.37 70.32 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.539 -1.351 . . . . 0.0 113.063 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.06 -32.38 70.46 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 119.479 -2.013 . . . . 0.0 109.262 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.8 -33.76 75.87 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.932 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.523 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 57.0 tt0 -67.7 -10.43 52.31 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.607 -0.683 . . . . 0.0 110.004 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 352' ' ' THR . . . . . 0.703 HG22 ' HZ1' ' C' ' 69' ' ' LYS . 34.3 p -89.75 -7.81 53.65 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.95 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.2 159.33 15.33 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.304 -0.873 . . . . 0.0 110.202 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.79 2.96 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 106.952 -2.459 . . . . 0.0 106.952 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.0 mt -119.59 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.226 0 O-C-N 120.738 -1.448 . . . . 0.0 107.453 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.418 ' CG2' HG21 ' C' ' 56' ' ' THR . 69.3 p -81.45 172.52 13.42 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 118.74 -1.184 . . . . 0.0 109.259 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.67 140.91 57.29 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.879 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.24 78.89 Favored Glycine 0 N--CA 1.5 2.962 0 C-N-CA 120.002 -1.095 . . . . 0.0 111.329 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.37 135.94 34.08 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.91 -1.347 . . . . 0.0 110.622 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.59 123.72 49.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.11 160.07 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 119.973 -1.705 . . . . 0.0 110.656 178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.417 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.2 m -108.89 128.41 54.89 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.539 -1.35 . . . . 0.0 107.619 175.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.93 121.38 60.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.401 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.2 50.7 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.58 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.5 47.27 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.788 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.518 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.74 6.4 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 118.561 -1.256 . . . . 0.0 108.025 178.233 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.29 40.17 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.031 -2.033 . . . . 0.0 110.385 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.62 82.58 Favored 'General case' 0 C--N 1.275 -2.631 0 CA-C-N 114.42 -0.89 . . . . 0.0 112.209 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.1 36.77 3.56 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 115.843 -2.343 . . . . 0.0 108.561 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.51 65.73 Favored 'General case' 0 N--CA 1.521 3.123 0 N-CA-C 116.871 2.174 . . . . 0.0 116.871 -174.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.414 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.93 -45.59 27.3 Favored 'General case' 0 N--CA 1.509 2.503 0 O-C-N 119.611 -1.931 . . . . 0.0 110.95 -176.538 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.765 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.56 -40.77 97.83 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.04 -49.55 77.45 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 117.464 -1.695 . . . . 0.0 110.024 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.78 -42.25 89.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 CA-C-O 122.248 1.023 . . . . 0.0 109.252 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.9 -47.9 76.6 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-O 122.101 0.953 . . . . 0.0 108.763 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.765 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.75 -38.39 76.78 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.687 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.458 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.7 mt -75.63 -28.57 58.86 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.327 -1.483 . . . . 0.0 110.863 -174.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.53 71.2 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.498 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.85 -49.35 62.64 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.524 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.21 -45.15 84.08 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.004 -1.079 . . . . 0.0 110.564 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.49 -37.31 85.48 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.893 -1.13 . . . . 0.0 111.486 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.85 -31.85 61.75 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.041 -1.037 . . . . 0.0 110.275 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.92 -32.25 45.59 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.466 -0.772 . . . . 0.0 111.348 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.18 125.51 12.52 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 124.355 2.026 . . . . 0.0 112.895 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 11.1 pt-20 . . . . . 0 C--N 1.278 -2.537 0 CA-C-N 111.065 -2.789 . . . . 0.0 110.133 -177.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.13 -19.38 62.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.544 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 6' ' ' GLU . 81.8 tt0 -62.15 -34.97 77.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.501 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 8' ' ' VAL . 98.3 mt -37.31 -31.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.439 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 3' ' ' GLU . 52.4 tp10 -64.41 -45.27 88.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.915 0.388 . . . . 0.0 110.33 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.7 mt-10 -66.99 -35.51 80.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.312 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.429 HG11 HD11 ' A' ' 58' ' ' LEU . 79.4 t -64.33 -42.59 95.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.603 HG21 HG13 ' A' ' 73' ' ' VAL . 86.8 t -60.45 -44.71 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.971 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -58.51 -42.04 86.81 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.16 97.46 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.44 -43.4 97.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.188 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.52 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.726 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.517 HD13 ' NZ ' ' D' ' 324' ' ' LYS . 86.6 mt -63.66 -44.25 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.972 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -60.81 -46.28 91.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.809 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -60.35 -43.98 95.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.924 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.13 99.09 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.482 ' CG ' HH21 ' D' ' 317' ' ' ARG . 85.5 mt-30 -63.56 -43.04 98.22 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.15 -49.82 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.877 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.484 HH12 ' HB2' ' A' ' 87' ' ' ALA . 63.7 ttm-85 -59.97 -47.15 86.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -53.37 -43.38 67.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.56 -42.1 99.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.734 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.86 75.89 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.78 -44.55 93.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.626 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.8 93.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.785 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.87 81.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.698 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.04 -45.22 95.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.423 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -55.73 -42.32 75.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.203 0.525 . . . . 0.0 109.585 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.58 -41.9 95.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.875 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.06 90.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.748 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.86 -29.24 70.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.181 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -81.88 -5.06 57.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.513 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.49 17.09 64.91 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -99.29 77.81 2.16 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.742 0.306 . . . . 0.0 110.305 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -65.38 -34.81 79.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.649 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.37 74.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.083 0.468 . . . . 0.0 110.733 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.62 81.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.408 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.26 80.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -62.12 -44.82 95.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.554 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.52 96.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.775 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.4 mtp -65.63 -39.76 91.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.73 -41.7 98.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.624 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -63.46 -41.61 98.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.975 0.417 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.74 -40.85 97.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.9 t -61.63 -45.15 95.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.562 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -60.66 -42.35 96.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.341 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.2 tpp -60.97 -43.34 98.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.221 0.534 . . . . 0.0 110.557 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.3 98.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.167 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.406 HD12 ' NE ' ' A' ' 88' ' ' ARG . 90.6 mt -66.47 -39.47 88.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.704 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -60.11 -42.81 95.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.3 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.06 -38.91 92.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.255 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.52 75.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.47 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -61.35 -39.02 89.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.432 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.75 -44.66 96.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.301 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.7 -43.11 93.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.973 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.476 HE22 ' CG1' ' A' ' 59' ' ' ILE . 10.2 tm0? -59.96 -44.0 94.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.212 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -56.87 -42.25 79.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.034 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.08 -39.23 91.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.954 0.407 . . . . 0.0 110.5 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.54 HD22 HD22 ' A' ' 4' ' ' LEU . 95.9 mt -63.46 -29.64 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.677 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.476 ' CG1' HE22 ' A' ' 55' ' ' GLN . 96.7 mt -86.23 -31.61 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.795 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -79.55 -10.23 59.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.468 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.37 169.23 0.42 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.37 141.37 58.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.609 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.7 143.96 54.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.44 164.96 42.21 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.76 103.78 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.841 0.353 . . . . 0.0 110.701 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.98 -3.04 53.3 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -106.41 121.6 44.59 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.789 0.328 . . . . 0.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.8 mmm -71.46 -158.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.623 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -85.55 -8.01 58.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.481 ' CG1' ' OE1' ' B' ' 76' ' ' GLU . 2.3 m -92.09 111.28 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.788 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 75' ' ' VAL . 84.2 p -129.97 162.68 28.12 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.6 mt -58.6 -41.73 86.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.654 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.603 HG13 HG21 ' A' ' 8' ' ' VAL . 79.8 t -64.44 -46.04 94.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.381 . . . . 0.0 110.498 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.36 -41.58 98.84 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 120.983 0.421 . . . . 0.0 110.881 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 71' ' ' SER . 64.7 t -60.06 -46.74 93.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.223 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -58.86 -45.51 89.95 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.342 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.52 93.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.646 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.87 -41.89 97.65 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.165 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 83' ' ' THR . 44.9 tp -57.42 -46.17 83.81 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.458 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -67.45 -47.4 70.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.752 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.51 -45.35 94.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.839 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.0 mmm -61.69 -43.75 98.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.171 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.1 p -63.37 -47.03 83.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.097 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.8 m -62.22 -48.75 78.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.432 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.61 -48.74 79.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.731 0.3 . . . . 0.0 110.572 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.55 -45.3 93.55 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.112 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.484 ' HB2' HH12 ' A' ' 19' ' ' ARG . . . -59.32 -49.79 76.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.811 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.406 ' NE ' HD12 ' A' ' 48' ' ' LEU . 73.8 ttp85 -58.49 -45.26 89.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.157 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -60.2 -46.94 88.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.067 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.35 -41.64 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.21 0.528 . . . . 0.0 109.842 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.49 -42.57 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.305 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -58.51 -45.34 89.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.022 0.439 . . . . 0.0 109.864 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.469 ' OE1' HD13 ' B' ' 94' ' ' LEU . 97.0 mt-10 -62.89 -41.95 99.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.599 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.517 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.7 mt -59.42 -42.99 93.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.61 -42.57 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.536 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.62 -38.24 86.91 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.6 mt -63.14 -41.37 99.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.851 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.4 m80 -59.8 -40.45 88.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.55 -39.59 84.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.15 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.81 -36.1 82.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 80.6 mt -71.63 140.69 49.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.368 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -75.66 139.97 42.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.506 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.555 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.03 -19.7 63.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.563 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' B' ' 6' ' ' GLU . 81.0 tt0 -61.86 -35.15 77.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.447 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.568 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.8 mt -37.18 -30.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.489 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' B' ' 3' ' ' GLU . 52.0 tp10 -64.63 -45.22 87.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.96 0.409 . . . . 0.0 110.368 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.6 mt-10 -67.01 -35.64 80.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.175 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.439 HG11 HD11 ' B' ' 58' ' ' LEU . 78.9 t -64.23 -42.44 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.312 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.582 HG21 HG13 ' B' ' 73' ' ' VAL . 85.0 t -60.72 -44.64 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.848 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.68 -41.83 87.12 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.04 97.33 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.209 -1.157 . . . . 0.0 110.209 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.51 -43.42 97.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.4 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.6 -44.41 98.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.718 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.61 -44.2 98.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.962 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -61.16 -45.99 92.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.859 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -60.43 -43.72 96.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.078 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.43 -43.19 98.61 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.42 -43.19 98.21 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.425 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.2 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.842 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.488 HH12 ' HB2' ' B' ' 87' ' ' ALA . 63.4 ttm-85 -59.9 -47.13 87.01 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -53.6 -42.92 68.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.81 -42.14 99.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.685 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.81 76.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.79 -44.5 93.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.634 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.94 94.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.736 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.14 -42.95 81.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.622 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.13 -45.2 95.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.309 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -55.83 -42.37 75.62 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.58 -41.66 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.904 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.35 91.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.681 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.39 -29.66 70.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.083 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.6 -5.11 57.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.332 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.81 16.41 65.64 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -98.87 78.03 2.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.777 0.322 . . . . 0.0 110.313 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -65.73 -34.95 79.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.658 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.21 76.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.095 0.474 . . . . 0.0 110.81 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.8 82.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.423 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.02 -47.7 79.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -61.66 -45.49 93.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.522 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.99 96.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.717 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 45.9 mtp -65.4 -39.81 92.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.465 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 2.4 mmt -61.63 -41.95 98.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.582 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -63.4 -41.48 98.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.47 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.73 -41.06 98.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.225 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -61.38 -45.37 94.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.549 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -60.45 -42.37 96.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.285 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 35.8 tpp -61.06 -42.92 99.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.287 0.565 . . . . 0.0 110.62 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.04 99.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.171 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' B' ' 18' ' ' ALA . 92.1 mt -66.71 -39.53 88.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.777 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ASN . . . . . 0.419 ' C ' ' OD1' ' B' ' 49' ' ' ASN . 49.4 t-20 -59.93 -42.97 95.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.311 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.88 -39.49 93.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.17 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.64 -44.61 77.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.428 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.53 -38.85 88.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.301 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 44.3 mt -60.79 -44.34 96.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.326 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -66.19 -42.65 91.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 0.0 110.055 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.48 HE22 ' CG1' ' B' ' 59' ' ' ILE . 10.0 tm0? -60.28 -43.63 96.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.215 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -57.15 -42.93 81.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.913 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.39 -39.54 91.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.876 0.369 . . . . 0.0 110.529 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.516 HD22 HD22 ' B' ' 4' ' ' LEU . 96.0 mt -63.09 -29.91 71.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.727 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.48 ' CG1' HE22 ' B' ' 55' ' ' GLN . 96.7 mt -86.08 -31.72 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.704 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -79.55 -10.05 59.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.536 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.38 168.6 0.49 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.02 140.99 58.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.312 . . . . 0.0 110.604 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.48 144.18 54.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.52 165.02 42.13 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -60.7 103.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.601 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.98 -3.01 53.45 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -106.41 122.09 45.56 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.643 0.259 . . . . 0.0 110.456 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mmm -72.01 -157.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.697 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -86.36 -7.3 58.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.454 ' CG1' ' OE1' ' C' ' 76' ' ' GLU . 2.7 m -93.56 111.2 24.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.792 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.45 ' O ' HG23 ' B' ' 75' ' ' VAL . 91.2 p -129.69 164.34 24.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.551 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.62 -41.81 95.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.545 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.582 HG13 HG21 ' B' ' 8' ' ' VAL . 75.0 t -63.27 -45.37 98.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.645 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.69 -41.29 98.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 71' ' ' SER . 57.6 t -60.14 -47.19 93.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.296 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.481 ' OE1' ' CG1' ' A' ' 70' ' ' VAL . 81.6 tt0 -58.58 -45.92 88.05 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.26 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.54 95.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.916 0.388 . . . . 0.0 110.406 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.496 HE21 ' CG ' ' B' ' 82' ' ' MET . 47.1 tp60 -63.78 -41.84 97.87 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.502 ' O ' HG23 ' B' ' 83' ' ' THR . 45.6 tp -57.51 -46.13 84.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.375 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -67.51 -47.45 69.93 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.694 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.41 -45.5 94.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' MET . . . . . 0.496 ' CG ' HE21 ' B' ' 78' ' ' GLN . 89.3 mmm -61.48 -44.17 97.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.502 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.2 p -62.69 -47.2 84.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.141 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 71.0 m -62.18 -48.74 78.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.622 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -58.74 -48.84 79.78 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.471 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.44 -45.32 93.62 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.129 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.488 ' HB2' HH12 ' B' ' 19' ' ' ARG . . . -59.3 -49.91 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.877 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 73.8 ttp85 -58.46 -45.09 89.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.262 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -60.32 -47.07 87.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.16 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' B' ' 90' ' ' LEU . 94.7 mt -65.26 -41.3 94.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.1 0.476 . . . . 0.0 110.009 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.76 -42.56 92.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.223 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.465 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 19.5 m -58.47 -45.44 88.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.083 0.468 . . . . 0.0 109.857 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.461 ' OE1' HD13 ' C' ' 94' ' ' LEU . 97.3 mt-10 -62.79 -42.25 99.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.498 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.499 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.4 mt -59.14 -43.17 91.99 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.41 -42.72 92.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.554 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.26 -38.58 87.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.763 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.2 mt -62.98 -41.04 99.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.854 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.499 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.5 m80 -59.96 -40.42 89.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.104 0.478 . . . . 0.0 109.811 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -59.61 -39.49 84.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.054 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.09 -35.96 82.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.176 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 81.4 mt -71.66 140.81 49.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.373 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -75.87 140.09 42.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.556 -179.885 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.68 -19.26 63.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' C' ' 6' ' ' GLU . 81.7 tt0 -62.04 -35.02 77.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.356 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.578 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.4 mt -37.27 -30.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.371 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' C' ' 3' ' ' GLU . 51.9 tp10 -65.13 -44.8 87.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 110.377 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.6 mt-10 -67.31 -35.46 79.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.329 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.422 HG11 HD11 ' C' ' 58' ' ' LEU . 79.0 t -64.25 -42.64 96.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.362 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.578 HG23 ' O ' ' C' ' 4' ' ' LEU . 86.0 t -60.52 -44.52 96.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.942 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.0 mtp -58.9 -42.04 88.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.49 97.83 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.1 -43.63 97.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.395 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.36 -44.58 99.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.689 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.38 -44.01 98.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.053 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -61.34 -46.33 90.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.839 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -60.04 -44.05 94.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.146 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.87 99.02 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -63.58 -43.09 97.98 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.421 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.19 -49.86 75.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.802 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.482 HH12 ' HB2' ' C' ' 87' ' ' ALA . 63.5 ttm-85 -59.99 -46.84 88.13 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -53.5 -43.2 68.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.85 -42.38 99.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.712 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.84 76.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.85 -44.52 94.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.545 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.69 94.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.706 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.27 -42.98 82.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.605 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.96 -45.25 95.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.429 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -56.03 -42.3 76.3 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.55 -41.55 94.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.115 0.483 . . . . 0.0 109.898 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.45 92.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.784 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.56 -29.17 69.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.075 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.83 -5.14 57.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.413 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.73 16.81 64.97 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -99.08 78.12 2.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.708 0.29 . . . . 0.0 110.262 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -65.63 -34.58 78.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.591 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.48 -49.02 75.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.076 0.465 . . . . 0.0 110.707 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.4 81.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.464 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -47.64 77.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -61.6 -45.27 94.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.603 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.02 95.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.733 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 46.5 mtp -65.16 -39.99 93.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 2.4 mmt -61.59 -41.82 97.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.594 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -63.39 -41.79 98.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.51 -41.0 98.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.293 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -61.3 -45.49 94.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.66 -42.07 96.3 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.387 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 36.1 tpp -61.07 -43.73 98.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.332 0.586 . . . . 0.0 110.523 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.45 98.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.291 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.421 HD21 ' CB ' ' C' ' 18' ' ' ALA . 90.6 mt -66.47 -39.75 88.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.704 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 49' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 50.7 t-20 -59.91 -42.93 94.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.375 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.65 -39.59 93.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.035 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.71 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.405 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.39 -39.16 89.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.301 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.72 -44.11 97.04 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.319 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.09 -43.1 92.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.451 . . . . 0.0 109.967 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.462 HE22 ' CG1' ' C' ' 59' ' ' ILE . 9.8 tm0? -59.92 -43.73 94.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.238 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.418 HG21 ' CG2' ' D' ' 356' ' ' THR . 18.5 m -57.2 -42.59 81.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.158 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -39.07 90.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.357 . . . . 0.0 110.481 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.515 HD22 HD22 ' C' ' 4' ' ' LEU . 96.0 mt -63.43 -29.5 70.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.462 ' CG1' HE22 ' C' ' 55' ' ' GLN . 96.9 mt -86.38 -31.67 6.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.858 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.523 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.7 mm-40 -79.76 -10.19 59.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.25 169.17 0.4 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.5 141.33 58.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.863 0.363 . . . . 0.0 110.553 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.57 144.32 54.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.408 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.62 165.3 42.22 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -61.09 104.1 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.72 -2.8 52.91 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -106.46 122.13 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.589 0.233 . . . . 0.0 110.617 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mmm -72.32 -157.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.542 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.703 ' HZ1' HG22 ' D' ' 352' ' ' THR . 99.2 mttt -86.31 -7.36 58.55 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.435 HG22 ' H ' ' C' ' 70' ' ' VAL . 2.7 m -93.34 110.73 23.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.667 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.471 ' O ' HG23 ' C' ' 75' ' ' VAL . 90.1 p -128.18 166.81 17.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.492 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.41 -41.41 98.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.682 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.574 HG13 HG21 ' C' ' 8' ' ' VAL . 73.8 t -64.18 -46.03 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 130.061 3.344 . . . . 0.0 110.668 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.42 -40.82 93.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.09 0.471 . . . . 0.0 110.981 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.471 HG23 ' O ' ' C' ' 71' ' ' SER . 61.9 t -60.64 -47.82 91.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.17 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.454 ' OE1' ' CG1' ' B' ' 70' ' ' VAL . 80.8 tt0 -58.41 -46.0 87.31 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.305 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.66 95.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.862 0.363 . . . . 0.0 110.435 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.72 -41.69 98.04 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.264 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.486 ' O ' HG23 ' C' ' 83' ' ' THR . 45.2 tp -57.57 -46.3 84.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.503 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -67.46 -47.3 70.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.737 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.56 -45.58 93.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.748 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.5 mmm -61.56 -43.86 98.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.305 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.486 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.3 p -63.03 -47.05 84.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.195 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 71.3 m -62.3 -48.64 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.597 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.79 -48.49 81.09 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.7 0.286 . . . . 0.0 110.526 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.94 -45.34 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.096 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 87' ' ' ALA . . . . . 0.482 ' HB2' HH12 ' C' ' 19' ' ' ARG . . . -59.23 -49.88 76.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.918 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -58.26 -45.5 87.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.249 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -59.84 -47.25 86.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.14 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.1 -41.45 94.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.181 0.515 . . . . 0.0 110.091 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -60.76 -42.17 91.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.347 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.1 m -58.91 -45.01 91.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.136 0.493 . . . . 0.0 109.957 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.17 -42.09 99.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.455 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.516 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.4 mt -59.19 -42.97 92.12 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.68 -42.69 92.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.565 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.11 -38.67 87.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.707 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 97' ' ' LEU . 35.3 mt -62.79 -41.4 99.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.853 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.8 m80 -59.94 -40.36 88.68 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.71 -39.51 84.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.103 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.89 -35.85 82.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.251 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 81.4 mt -71.9 140.61 49.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.333 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -75.61 140.1 42.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.52 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.571 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.524 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 121.965 0.888 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.86 143.04 36.56 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.22 38.37 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.974 -1.078 . . . . 0.0 109.568 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.11 149.2 28.54 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.33 18.92 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.967 -1.083 . . . . 0.0 108.42 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.87 144.36 19.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.77 136.62 37.05 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.152 0.977 . . . . 0.0 110.113 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.99 114.3 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.78 -4.34 19.44 Favored 'General case' 0 C--N 1.265 -3.08 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.814 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.77 85.68 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 119.644 -1.91 . . . . 0.0 110.634 178.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.4 -47.8 12.5 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 124.756 3.637 . . . . 0.0 114.142 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.413 ' OD1' ' CD2' ' C' ' 52' ' ' HIS . 93.5 m-20 -102.06 27.56 6.5 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 116.029 -2.268 . . . . 0.0 108.77 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.03 -142.19 47.56 Favored Glycine 0 N--CA 1.496 2.664 0 C-N-CA 117.722 -2.18 . . . . 0.0 109.591 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' D' ' 314' ' ' LEU . 13.3 tp -88.7 72.65 8.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.849 -1.383 . . . . 0.0 109.489 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 315' ' ' HIS . . . . . 0.4 ' HE1' ' OXT' ' D' ' 385' ' ' GLU . 1.3 p-80 -64.55 176.21 1.18 Allowed 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 117.914 -1.515 . . . . 0.0 112.124 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 30.8 p -41.5 -66.2 0.36 Allowed 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 117.208 2.299 . . . . 0.0 117.208 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.463 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 5.3 tmm_? -57.21 -50.9 85.55 Favored Pre-proline 0 N--CA 1.493 1.717 0 C-N-CA 120.116 -0.633 . . . . 0.0 112.504 -177.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.3 -32.17 61.99 Favored 'Trans proline' 0 N--CA 1.484 0.95 0 C-N-CA 120.64 0.893 . . . . 0.0 111.465 -178.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.473 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.04 -38.79 86.51 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.18 -0.95 . . . . 0.0 109.502 -179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.561 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.98 -39.67 72.37 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -63.99 -39.31 93.84 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 117.91 -1.516 . . . . 0.0 109.522 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.442 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.34 93.23 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.621 1.2 . . . . 0.0 108.694 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.473 HG23 ' O ' ' D' ' 319' ' ' ALA . 54.9 t -62.69 -42.22 95.28 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.612 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.489 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.0 mttt -63.96 -40.26 96.02 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.171 -0.955 . . . . 0.0 109.721 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.77 -39.57 80.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.434 -0.791 . . . . 0.0 109.641 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.04 91.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.615 -1.303 . . . . 0.0 109.409 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.37 -16.14 43.29 Favored 'General case' 0 N--CA 1.512 2.636 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.92 -10.6 86.1 Favored Glycine 0 N--CA 1.479 1.56 0 O-C-N 119.855 -1.778 . . . . 0.0 109.28 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.49 143.36 32.82 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.291 -1.711 . . . . 0.0 110.003 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.5 p -75.61 -30.06 59.42 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.307 -0.871 . . . . 0.0 112.333 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.72 158.52 10.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.81 -1.806 . . . . 0.0 112.794 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.574 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.97 130.3 35.41 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 102.828 -3.027 . . . . 0.0 102.828 171.218 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.63 60.25 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.434 0 CA-C-O 122.206 1.003 . . . . 0.0 109.25 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -125.0 143.13 51.06 Favored 'General case' 0 C--N 1.285 -2.238 0 CA-C-O 123.084 1.421 . . . . 0.0 110.005 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.1 t -108.05 129.98 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.732 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 173.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.51 119.56 26.32 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.895 -1.128 . . . . 0.0 108.954 -178.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.54 39.13 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.936 177.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.78 38.96 24.51 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.877 -1.139 . . . . 0.0 112.746 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.08 83.52 Favored Glycine 0 N--CA 1.503 3.164 0 O-C-N 119.953 -1.717 . . . . 0.0 112.511 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.85 136.28 54.54 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.83 158.56 33.12 Favored 'General case' 0 C--N 1.275 -2.634 0 CA-C-O 123.832 1.777 . . . . 0.0 112.384 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.42 31.46 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 112.413 -2.176 . . . . 0.0 108.635 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.63 135.95 48.78 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.98 -6.75 47.49 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.721 -1.237 . . . . 0.0 110.734 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.51 13.01 31.43 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.679 -1.263 . . . . 0.0 109.374 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.3 p -133.08 104.09 6.35 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 122.132 0.968 . . . . 0.0 110.088 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.476 HD22 ' CE ' ' A' ' 9' ' ' MET . 56.3 tp -57.2 -37.88 72.86 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.948 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -58.9 -51.44 70.03 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.574 -1.329 . . . . 0.0 113.028 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.45 70.63 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 119.523 -1.985 . . . . 0.0 109.184 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.81 -33.77 75.89 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 118.956 -1.098 . . . . 0.0 109.907 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.507 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 54.8 tt0 -67.71 -10.41 52.19 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.643 -0.661 . . . . 0.0 109.934 -177.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.9 p -89.77 -7.72 53.81 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 118.138 -1.425 . . . . 0.0 110.888 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 353' ' ' LEU . . . . . 0.5 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.2 mt -93.4 159.33 15.3 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.187 -0.946 . . . . 0.0 110.178 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.82 2.96 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 106.962 -2.455 . . . . 0.0 106.962 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 355' ' ' LEU . . . . . 0.438 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.4 mt -119.54 47.37 1.72 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.735 -1.45 . . . . 0.0 107.386 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.756 HG22 HG21 ' C' ' 56' ' ' THR . 5.9 p -81.43 172.57 13.37 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 118.764 -1.174 . . . . 0.0 109.218 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -60.7 140.9 57.34 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.867 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.18 79.09 Favored Glycine 0 N--CA 1.5 2.954 0 C-N-CA 120.076 -1.059 . . . . 0.0 111.391 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.39 135.9 34.09 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.94 -1.329 . . . . 0.0 110.696 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.49 123.66 48.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.13 160.09 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 C-N-CA 117.425 -1.71 . . . . 0.0 110.62 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 88.9 m -108.89 128.3 54.8 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 120.587 -1.321 . . . . 0.0 107.639 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.78 121.39 60.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 176.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.33 50.71 Favored 'General case' 0 C--N 1.286 -2.189 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -179.547 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.46 47.12 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 118.466 -1.294 . . . . 0.0 109.699 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.524 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.79 6.42 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 118.553 -1.259 . . . . 0.0 108.062 178.169 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.25 -170.36 40.18 Favored Glycine 0 C--N 1.296 -1.654 0 C-N-CA 117.99 -2.052 . . . . 0.0 110.334 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.59 82.63 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.402 -0.899 . . . . 0.0 112.174 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.1 36.84 3.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 118.963 -2.336 . . . . 0.0 108.543 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.49 -33.42 65.96 Favored 'General case' 0 N--CA 1.521 3.115 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.43 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.62 27.28 Favored 'General case' 0 N--CA 1.508 2.453 0 O-C-N 119.628 -1.92 . . . . 0.0 110.965 -176.616 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.762 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.62 -40.68 97.53 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.41 77.95 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.486 -1.686 . . . . 0.0 110.047 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.88 -42.28 88.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 CA-C-O 122.243 1.021 . . . . 0.0 109.212 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.8 -47.96 76.23 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-O 122.068 0.937 . . . . 0.0 108.758 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.762 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.8 -38.28 76.57 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.7 -178.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.2 mt -75.63 -28.57 58.85 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.38 -1.45 . . . . 0.0 110.865 -174.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.56 71.14 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.42 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.76 -49.31 63.17 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.23 -45.25 84.05 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.523 177.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.34 -37.38 85.43 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.9 -1.125 . . . . 0.0 111.546 -177.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.73 61.61 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.092 -1.005 . . . . 0.0 110.314 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.91 -32.37 45.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.558 -0.714 . . . . 0.0 111.325 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.06 125.46 12.24 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 124.341 2.02 . . . . 0.0 112.879 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.814 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.1 mt-10 . . . . . 0 C--N 1.277 -2.571 0 CA-C-N 111.167 -2.742 . . . . 0.0 110.111 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.17 -36.01 72.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.493 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.5 mt-10 -58.1 -76.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.492 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 8' ' ' VAL . 60.4 mt -38.07 -38.83 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.48 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -64.27 -47.26 80.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.928 0.394 . . . . 0.0 110.273 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 3' ' ' GLU . 82.6 tt0 -66.91 -38.06 85.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.232 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.9 t -62.91 -42.74 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.404 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 4' ' ' LEU . 77.0 t -59.89 -45.6 94.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.933 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.476 ' CE ' HD22 ' D' ' 347' ' ' LEU . 92.5 mtp -58.86 -41.66 87.53 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.87 -42.37 97.0 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.06 -42.62 99.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.199 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.94 -44.29 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.779 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.561 HD11 ' HB1' ' D' ' 320' ' ' ALA . 86.0 mt -63.46 -44.09 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.956 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -61.21 -46.63 89.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.816 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -60.28 -44.35 95.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.22 99.33 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.1 -43.28 98.92 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.02 78.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.72 -45.32 94.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.24 -45.05 80.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.743 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.553 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -56.82 -48.63 77.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.9 -40.24 88.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.554 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.78 88.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.782 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.63 89.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.727 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.486 ' HG ' ' HZ3' ' A' ' 30' ' ' LYS . 55.9 tp -61.28 -45.17 95.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.434 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.11 -42.1 76.31 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.11 -41.4 96.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.817 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.59 93.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.681 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HZ3' ' HG ' ' A' ' 26' ' ' LEU . 61.4 mttp -61.4 -28.72 69.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.133 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.3 -6.01 58.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.449 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 15.01 68.68 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.68 78.4 2.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.8 0.333 . . . . 0.0 110.314 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -65.99 -34.23 77.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.69 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.25 67.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.073 0.463 . . . . 0.0 110.765 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.38 -35.86 81.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.38 80.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.568 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.33 -42.53 95.86 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.642 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.5 90.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 52.3 mtt -64.81 -41.45 95.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 98.9 mmm -63.27 -41.17 99.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.631 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -62.33 -46.46 88.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.94 0.4 . . . . 0.0 110.549 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -64.06 -41.03 97.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.154 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.48 -46.75 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.728 ' NH1' HH22 ' A' ' 88' ' ' ARG . 62.0 ttm-85 -59.63 -42.99 93.95 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.304 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.94 -42.5 99.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.225 0.536 . . . . 0.0 110.539 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.201 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.12 -39.26 89.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.704 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -60.45 -43.21 97.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.222 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.15 -39.69 93.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.235 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.3 75.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -61.73 -39.13 90.48 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.365 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 mt -61.25 -43.99 97.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.318 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.19 -43.25 92.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.002 0.43 . . . . 0.0 109.964 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.9 -43.16 98.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.186 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -58.03 -42.68 85.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.067 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.71 -38.32 89.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.945 0.402 . . . . 0.0 110.555 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -65.76 -27.45 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.636 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -90.06 -32.63 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.856 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -87.21 -7.11 58.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.98 157.54 26.76 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.596 ' OD1' ' N ' ' A' ' 63' ' ' ALA . 67.6 t0 -63.19 142.59 58.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.6 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.596 ' N ' ' OD1' ' A' ' 62' ' ' ASP . . . -61.85 138.9 58.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.525 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.45 -147.43 5.99 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -86.19 106.84 17.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.862 0.363 . . . . 0.0 110.705 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.44 -12.05 28.74 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -109.68 121.13 44.53 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-O 120.681 0.277 . . . . 0.0 110.476 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.453 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 78.0 mtm -147.46 -127.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.625 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -73.23 -80.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.1 t -96.84 116.31 38.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.703 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 75' ' ' VAL . 96.7 p -130.45 162.93 28.07 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.0 mt -58.37 -43.49 88.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.716 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.615 HG13 HG21 ' A' ' 8' ' ' VAL . 72.2 t -64.22 -47.69 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.533 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.81 -41.18 97.94 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.045 0.45 . . . . 0.0 110.927 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 71' ' ' SER . 65.4 t -59.33 -46.98 92.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.176 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -59.65 -44.24 93.62 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.315 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.97 -44.3 89.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.682 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -63.51 -41.25 98.53 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.233 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 83' ' ' THR . 43.7 tp -57.14 -46.66 82.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.445 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -67.49 -47.1 71.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.68 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.55 -45.34 94.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.852 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -61.47 -42.75 99.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.236 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 79' ' ' LEU . 18.8 p -64.23 -45.62 87.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.158 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.5 p -62.68 -48.53 78.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.481 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 17.4 ttm -58.63 -47.76 83.31 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.563 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.64 -44.81 96.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.101 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.88 82.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.825 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.728 HH22 ' NH1' ' A' ' 45' ' ' ARG . 72.9 ttp85 -58.43 -45.25 88.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.115 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.2 mt-10 -61.62 -44.06 97.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.082 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.05 -42.79 96.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.167 0.508 . . . . 0.0 109.853 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.553 HD12 ' HB1' ' A' ' 22' ' ' ALA . 78.2 mt -60.48 -41.53 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.345 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.7 m -57.0 -45.54 82.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.52 -43.57 96.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.609 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.83 -43.4 94.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.46 -43.14 96.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.549 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -61.61 -38.35 87.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.772 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 97' ' ' LEU . 39.9 mt -62.33 -41.25 98.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.836 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -60.1 -39.28 85.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.51 -39.28 93.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.167 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.577 ' NZ ' ' CD2' ' B' ' 98' ' ' HIS . 98.5 mttt -64.73 -39.79 94.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.21 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.37 -41.94 96.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.409 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -82.44 142.38 31.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.522 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.819 -1.086 . . . . 0.0 110.494 179.831 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -58.04 -36.1 72.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.3 mt-10 -57.99 -76.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.466 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.659 ' O ' HG23 ' B' ' 8' ' ' VAL . 60.3 mt -38.47 -38.41 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.447 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -64.24 -47.26 80.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.952 0.406 . . . . 0.0 110.335 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' B' ' 3' ' ' GLU . 82.3 tt0 -66.84 -38.01 85.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.251 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.16 -42.53 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.413 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.659 HG23 ' O ' ' B' ' 4' ' ' LEU . 76.3 t -60.21 -45.21 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.887 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.19 -41.54 88.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.52 96.69 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.02 -42.58 99.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 0.0 110.322 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.15 -44.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.702 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.31 -44.18 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.953 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -61.06 -46.91 88.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.822 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -59.85 -44.71 93.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.02 -42.32 99.67 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -62.81 -43.46 98.74 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -48.83 79.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.838 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.87 -45.18 95.55 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.45 -44.87 80.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.2 -42.09 98.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.649 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.59 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -56.63 -48.73 76.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.432 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 20.6 m-85 -59.84 -40.16 87.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.71 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.97 89.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.746 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.6 -42.5 88.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.563 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.475 ' HG ' ' HZ3' ' B' ' 30' ' ' LYS . 56.4 tp -61.5 -45.23 95.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.344 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.18 -42.02 76.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.13 -41.46 96.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.872 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.69 93.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.66 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.475 ' HZ3' ' HG ' ' B' ' 26' ' ' LEU . 61.4 mttp -61.23 -28.93 69.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.115 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.24 -6.2 58.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.414 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.07 14.8 68.51 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -98.69 78.32 2.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 110.257 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -65.83 -34.45 78.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.615 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.65 -51.53 66.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.033 0.444 . . . . 0.0 110.768 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.71 81.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.416 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.08 77.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.58 -42.91 93.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.576 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.9 90.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.66 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 51.6 mtt -64.49 -41.22 96.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.612 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.556 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.7 mmm -63.58 -41.34 98.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.584 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.06 -46.82 87.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.485 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.71 -41.1 98.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -61.37 -46.55 89.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.446 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.718 ' NH1' HH22 ' B' ' 88' ' ' ARG . 61.9 ttm-85 -60.21 -42.64 95.58 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.296 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.88 -41.99 98.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.279 0.561 . . . . 0.0 110.634 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.98 98.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.121 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 48' ' ' LEU . 90.7 mt -66.61 -38.74 87.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -60.97 -43.36 98.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.282 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.06 -39.43 93.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.165 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.71 74.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.418 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.27 -39.32 89.96 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.283 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 41.2 mt -61.24 -43.88 98.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.297 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.14 -43.4 92.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.027 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.86 -43.07 98.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.231 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m -58.12 -42.68 86.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.964 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.72 -38.21 89.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.547 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.09 -27.08 67.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -90.21 -32.74 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.806 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -87.21 -7.0 58.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.549 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.17 157.13 28.29 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.592 ' OD1' ' N ' ' B' ' 63' ' ' ALA . 67.2 t0 -62.8 142.44 58.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.585 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.592 ' N ' ' OD1' ' B' ' 62' ' ' ASP . . . -61.92 138.65 58.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.449 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.94 -147.93 6.17 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -85.79 106.7 17.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.585 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.86 -12.53 29.11 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -109.0 121.14 44.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.646 0.26 . . . . 0.0 110.5 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' MET . . . . . 0.449 ' HG2' ' HB1' ' B' ' 63' ' ' ALA . 77.9 mtm -147.32 -127.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.638 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -73.14 -79.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.81 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.6 t -98.59 115.92 40.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.645 ' O ' HG23 ' B' ' 75' ' ' VAL . 92.5 p -129.7 164.92 22.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.455 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.79 -43.46 98.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.563 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.593 HG13 HG21 ' B' ' 8' ' ' VAL . 64.7 t -63.21 -47.09 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -178.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.96 -40.89 97.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.042 0.449 . . . . 0.0 110.917 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 71' ' ' SER . 67.9 t -59.48 -46.95 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.266 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -59.67 -44.37 93.63 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.302 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.34 89.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.889 0.376 . . . . 0.0 110.485 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -63.36 -41.02 98.81 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.244 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.443 ' O ' HG23 ' B' ' 83' ' ' THR . 42.3 tp -57.53 -46.51 83.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.409 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -67.6 -47.06 70.78 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.72 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.48 -45.17 95.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.906 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.7 -43.18 99.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.216 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.443 HG23 ' O ' ' B' ' 79' ' ' LEU . 18.5 p -63.65 -45.57 89.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.119 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.51 -49.22 76.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.603 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 18.3 ttm -58.01 -48.13 80.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.479 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.51 -44.85 96.33 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.87 82.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.893 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.718 HH22 ' NH1' ' B' ' 45' ' ' ARG . 73.3 ttp85 -58.51 -45.22 89.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.251 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.43 -44.15 97.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.148 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.14 -42.61 96.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.443 . . . . 0.0 109.991 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.59 HD12 ' HB1' ' B' ' 22' ' ' ALA . 78.2 mt -60.57 -41.79 89.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.188 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.556 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 18.3 m -56.65 -45.98 81.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.088 0.471 . . . . 0.0 109.877 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.19 -43.63 97.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.488 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.66 -43.52 93.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.38 -43.34 96.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.555 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -61.21 -38.84 88.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.697 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 97' ' ' LEU . 39.4 mt -62.05 -41.46 98.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.842 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.577 ' CD2' ' NZ ' ' A' ' 100' ' ' LYS . 59.7 m80 -59.81 -39.5 85.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.749 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -62.4 -39.11 92.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.015 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' LYS . . . . . 0.569 ' NZ ' ' CD2' ' C' ' 98' ' ' HIS . 98.3 mttt -65.03 -39.55 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.19 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.32 -42.03 96.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -82.63 142.63 31.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.559 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.544 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.04 -35.92 72.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.4 mt-10 -58.14 -76.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.353 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.68 ' O ' HG23 ' C' ' 8' ' ' VAL . 60.4 mt -38.23 -38.56 0.36 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.427 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -64.55 -46.97 80.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 110.388 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' C' ' 3' ' ' GLU . 83.7 tt0 -66.94 -38.12 85.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.315 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.07 -42.44 96.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.68 HG23 ' O ' ' C' ' 4' ' ' LEU . 76.9 t -60.31 -45.53 96.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.98 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -58.9 -41.48 87.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.93 -42.78 96.72 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.7 -42.56 99.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 110.338 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.93 -44.35 99.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.697 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.24 -44.19 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.011 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -61.12 -46.93 88.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.86 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -59.74 -44.82 93.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.154 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.71 -42.82 99.63 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.83 -43.06 99.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.87 79.63 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -60.92 -45.35 95.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -56.49 -44.78 80.98 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.96 -41.98 98.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.703 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.564 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -56.99 -48.75 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -59.71 -39.94 86.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.529 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.95 90.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.4 88.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.635 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.51 -45.46 94.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.431 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.1 -41.8 75.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.32 -41.48 97.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.93 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.75 92.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.867 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -61.59 -28.63 69.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.052 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -81.15 -6.04 58.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.95 14.78 68.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.6 78.01 2.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 0.0 110.289 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -65.55 -34.57 78.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.525 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.95 -51.45 66.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.071 0.463 . . . . 0.0 110.702 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.74 81.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.327 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.69 78.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.457 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.6 -42.98 93.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.517 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.92 89.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.753 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 51.7 mtt -64.57 -41.26 96.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.555 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 98.8 mmm -63.54 -41.57 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.567 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -61.82 -47.37 85.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.406 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.97 -41.48 99.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.259 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.22 -46.14 91.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.728 ' NH1' HH22 ' C' ' 88' ' ' ARG . 61.8 ttm-85 -60.64 -42.56 97.16 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.35 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.83 -42.41 99.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.352 0.596 . . . . 0.0 110.591 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.65 98.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.271 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 48' ' ' LEU . 90.7 mt -65.9 -39.4 90.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.726 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -60.63 -43.49 97.45 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.377 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.68 -39.59 93.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.013 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.82 -45.63 74.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.438 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.413 ' CD2' ' OD1' ' D' ' 312' ' ' ASN . 84.5 t60 -61.26 -39.1 89.09 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.324 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.62 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.276 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.92 -43.55 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.029 0.442 . . . . 0.0 110.01 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -60.96 -43.13 99.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.309 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.756 HG21 HG22 ' D' ' 356' ' ' THR . 17.7 m -57.74 -42.84 84.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.154 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.71 -38.12 89.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.507 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.96 -27.09 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -90.24 -32.77 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.507 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 73.3 mm-40 -87.29 -6.82 58.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.494 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.23 157.14 28.54 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.593 ' OD1' ' N ' ' C' ' 63' ' ' ALA . 67.0 t0 -63.03 142.63 58.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.916 0.389 . . . . 0.0 110.536 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.593 ' N ' ' OD1' ' C' ' 62' ' ' ASP . . . -61.82 138.62 58.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.475 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.91 -147.56 6.1 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -86.18 106.98 17.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.841 0.353 . . . . 0.0 110.611 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.43 -12.49 26.57 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -108.91 121.13 44.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.649 0.262 . . . . 0.0 110.58 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 68' ' ' MET . . . . . 0.456 ' HG2' ' HB1' ' C' ' 63' ' ' ALA . 77.9 mtm -147.59 -127.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.589 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.44 ' HB3' HE22 ' D' ' 351' ' ' GLN . 64.9 mttp -73.42 -80.11 0.07 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 9.1 t -98.21 115.5 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.721 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.65 ' O ' HG23 ' C' ' 75' ' ' VAL . 91.7 p -128.68 167.01 17.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.437 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' C' ' 72' ' ' LEU . 79.9 mt -62.35 -42.83 99.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.669 -177.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.586 HG13 HG21 ' C' ' 8' ' ' VAL . 59.8 t -64.38 -47.26 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 130.05 3.34 . . . . 0.0 110.647 -178.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.23 -40.6 90.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.65 HG23 ' O ' ' C' ' 71' ' ' SER . 70.3 t -59.74 -47.43 91.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.212 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.82 -44.29 94.1 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.303 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.4 89.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.796 0.331 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.13 -41.3 99.29 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.429 ' O ' HG23 ' C' ' 83' ' ' THR . 42.6 tp -57.19 -46.7 82.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.584 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -67.5 -46.98 71.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.768 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.41 -45.58 93.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.795 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -61.39 -42.88 99.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.341 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.429 HG23 ' O ' ' C' ' 79' ' ' LEU . 18.8 p -64.23 -45.1 89.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.213 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -62.99 -48.53 78.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 18.3 ttm -58.44 -48.04 82.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.471 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.6 -44.81 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.169 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.88 82.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.928 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.728 HH22 ' NH1' ' C' ' 45' ' ' ARG . 73.1 ttp85 -58.57 -45.01 89.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.24 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.48 -44.33 97.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.189 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.0 -42.65 97.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.201 0.525 . . . . 0.0 110.043 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.564 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.1 mt -60.53 -41.71 88.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.374 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.555 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 18.3 m -56.78 -45.77 81.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.08 0.467 . . . . 0.0 109.981 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.47 -43.2 98.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.575 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.03 -43.4 95.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.46 -43.16 96.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.557 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -61.21 -38.76 87.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.797 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 97' ' ' LEU . 39.8 mt -62.02 -41.78 98.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.921 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.569 ' CD2' ' NZ ' ' B' ' 100' ' ' LYS . 60.6 m80 -59.47 -39.86 85.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.801 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.23 -39.03 91.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.096 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.83 -39.92 94.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.205 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.13 -42.21 96.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.319 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -82.34 142.61 31.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.478 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.583 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.524 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 121.893 0.854 . . . . 0.0 108.951 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.79 142.98 36.68 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.479 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.94 156.28 38.59 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.005 -1.059 . . . . 0.0 109.516 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.07 149.25 28.62 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.23 152.24 19.04 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.021 -1.049 . . . . 0.0 108.393 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.81 144.36 19.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.66 136.6 36.96 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 122.178 0.99 . . . . 0.0 110.137 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -85.0 114.32 24.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.86 -4.2 19.48 Favored 'General case' 0 C--N 1.267 -3.016 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.816 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.77 85.64 Favored Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 119.707 -1.871 . . . . 0.0 110.683 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -45.46 -47.64 12.85 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 124.772 3.648 . . . . 0.0 114.163 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.13 27.54 6.57 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 116.062 -2.255 . . . . 0.0 108.815 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.04 -142.08 48.39 Favored Glycine 0 N--CA 1.497 2.732 0 C-N-CA 117.688 -2.196 . . . . 0.0 109.608 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.6 tp -90.08 68.07 7.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.934 -1.333 . . . . 0.0 109.494 -177.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -58.33 176.91 0.15 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 117.851 -1.54 . . . . 0.0 112.152 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 3.0 p -44.06 -65.44 0.51 Allowed 'General case' 0 N--CA 1.505 2.317 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 -176.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.486 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.3 tmt_? -56.16 -51.11 83.31 Favored Pre-proline 0 N--CA 1.493 1.711 0 C-N-CA 120.185 -0.606 . . . . 0.0 112.457 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.14 -32.2 63.74 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 120.584 0.856 . . . . 0.0 111.543 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.47 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.88 86.86 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.176 -0.953 . . . . 0.0 109.486 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.477 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.94 -39.64 72.53 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -64.0 -39.41 94.05 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 118.024 -1.471 . . . . 0.0 109.476 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.67 -45.35 93.22 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.584 1.183 . . . . 0.0 108.677 -177.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.47 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.3 t -62.68 -42.18 95.11 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.68 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.91 -40.26 96.08 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.308 -0.87 . . . . 0.0 109.779 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.71 80.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.429 -0.794 . . . . 0.0 109.623 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.02 91.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.588 -1.32 . . . . 0.0 109.382 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.3 -16.17 42.98 Favored 'General case' 0 N--CA 1.512 2.632 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.99 -10.48 86.23 Favored Glycine 0 N--CA 1.479 1.512 0 O-C-N 119.926 -1.734 . . . . 0.0 109.34 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.53 143.31 32.89 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.323 -1.693 . . . . 0.0 110.0 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.52 -30.16 59.7 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.154 -0.966 . . . . 0.0 112.303 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.84 158.57 10.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 119.826 -1.796 . . . . 0.0 112.789 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.26 35.44 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 102.853 -3.018 . . . . 0.0 102.853 171.265 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.77 136.63 60.26 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 CA-C-O 122.216 1.007 . . . . 0.0 109.258 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.97 143.22 51.0 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-O 123.1 1.429 . . . . 0.0 109.984 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.08 129.98 61.37 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.731 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 173.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.9 m -127.47 119.55 26.34 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.887 -1.133 . . . . 0.0 108.979 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.52 122.73 39.6 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.525 -0.734 . . . . 0.0 109.907 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.64 39.01 24.16 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.879 -1.138 . . . . 0.0 112.764 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 10.99 83.6 Favored Glycine 0 N--CA 1.502 3.044 0 O-C-N 119.956 -1.715 . . . . 0.0 112.533 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.82 136.3 54.53 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 177.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.79 158.57 33.02 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.784 1.754 . . . . 0.0 112.458 -176.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.37 31.32 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 112.49 -2.141 . . . . 0.0 108.572 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.6 136.02 48.88 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.73 47.45 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.705 -1.247 . . . . 0.0 110.735 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.63 12.99 31.71 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.651 -1.281 . . . . 0.0 109.364 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.1 t -133.06 104.15 6.38 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.241 1.019 . . . . 0.0 110.167 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.9 tp -57.21 -37.91 72.91 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.952 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -58.9 -51.36 70.36 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.618 -1.301 . . . . 0.0 113.039 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.11 -32.37 70.37 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.512 -1.992 . . . . 0.0 109.254 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.8 -33.78 75.91 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.989 -177.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.562 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 10.6 tp-100 -67.59 -10.48 52.35 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.697 -0.627 . . . . 0.0 109.96 -177.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.7 p -89.87 -7.63 53.79 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 118.124 -1.43 . . . . 0.0 110.849 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 353' ' ' LEU . . . . . 0.499 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.9 mt -93.43 159.32 15.3 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.185 -0.947 . . . . 0.0 110.157 -178.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.85 2.97 Favored Glycine 0 N--CA 1.484 1.865 0 N-CA-C 106.923 -2.471 . . . . 0.0 106.923 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.64 47.39 1.73 Allowed 'General case' 0 C--N 1.309 -1.163 0 O-C-N 120.694 -1.474 . . . . 0.0 107.431 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 68.8 p -81.42 172.57 13.38 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.758 -1.177 . . . . 0.0 109.305 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.68 140.92 57.3 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.844 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.38 -3.1 79.08 Favored Glycine 0 N--CA 1.501 3.014 0 C-N-CA 120.007 -1.092 . . . . 0.0 111.329 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.5 135.93 34.03 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.924 -1.339 . . . . 0.0 110.597 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.8 t -96.56 123.68 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.1 160.08 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.417 -1.713 . . . . 0.0 110.602 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.7 m -108.91 128.38 54.87 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.491 -1.38 . . . . 0.0 107.631 175.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.88 121.41 60.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.25 50.72 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -179.579 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.38 47.18 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.696 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.524 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.83 6.45 Favored 'General case' 0 C--N 1.288 -2.076 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.013 178.133 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.23 40.14 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 118.014 -2.041 . . . . 0.0 110.353 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.45 -40.62 83.1 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.361 -0.92 . . . . 0.0 112.155 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.07 36.84 3.53 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 115.895 -2.322 . . . . 0.0 108.586 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.43 -33.48 65.88 Favored 'General case' 0 N--CA 1.521 3.12 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 -174.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.43 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.6 27.28 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 119.545 -1.972 . . . . 0.0 110.982 -176.569 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.76 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.73 97.8 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.52 77.56 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 117.481 -1.688 . . . . 0.0 110.001 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 65.9 t -66.88 -42.17 88.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.234 1.016 . . . . 0.0 109.268 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.94 -47.86 76.81 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 122.1 0.953 . . . . 0.0 108.783 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.76 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.85 -38.22 76.4 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.747 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.3 mt -75.65 -28.61 58.81 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.372 -1.455 . . . . 0.0 110.899 -174.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.31 62.73 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.2 -45.15 84.04 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 118.987 -1.085 . . . . 0.0 110.605 177.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.41 -37.38 85.56 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.835 -1.166 . . . . 0.0 111.521 -177.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.86 61.67 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.155 -0.965 . . . . 0.0 110.28 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.8 -32.33 46.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.554 -0.716 . . . . 0.0 111.401 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.97 125.43 12.01 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.31 2.005 . . . . 0.0 112.879 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.816 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.1 tt0 . . . . . 0 C--N 1.278 -2.532 0 CA-C-N 111.141 -2.754 . . . . 0.0 110.097 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.74 -36.12 71.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 6' ' ' GLU . 84.7 tt0 -62.15 -71.25 0.16 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.404 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.644 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.0 mt -38.03 -38.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.434 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.52 -47.36 79.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.919 0.39 . . . . 0.0 110.315 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.4 mt-10 -67.06 -36.57 82.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.231 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.41 HG11 HD11 ' A' ' 58' ' ' LEU . 71.2 t -64.07 -42.01 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.365 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 4' ' ' LEU . 75.4 t -60.37 -45.12 97.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.952 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -58.83 -41.15 86.2 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.54 97.41 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.96 -43.51 98.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.212 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.08 -44.23 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.843 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.477 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.0 mt -63.81 -44.39 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.001 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.436 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 48.6 t-20 -61.74 -46.59 88.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.756 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.421 ' HG ' ' CB ' ' A' ' 84' ' ' SER . 37.1 t -60.1 -44.42 94.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.016 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.05 -42.4 99.61 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.054 -1.219 . . . . 0.0 110.054 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.89 -42.29 97.52 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -49.53 76.99 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.27 -46.22 90.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -54.24 -44.04 71.4 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.5 -42.71 98.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.677 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.53 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -58.64 -49.69 76.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.43 -41.9 90.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.598 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.4 90.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.776 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.3 89.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.702 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.65 -45.5 93.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.483 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.51 -41.57 73.29 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.07 -42.02 97.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.838 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.489 ' O ' ' NZ ' ' A' ' 102' ' ' LYS . . . -59.46 -43.71 93.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.705 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.71 -29.6 69.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.22 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -83.21 -4.94 58.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.458 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.73 16.16 77.97 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.65 81.28 3.49 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.755 0.312 . . . . 0.0 110.312 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -63.65 -34.8 78.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.71 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.982 0.42 . . . . 0.0 110.706 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.84 81.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.87 77.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.627 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -60.32 -43.36 96.44 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.662 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.84 98.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.792 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.3 mtt -65.79 -40.46 91.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.483 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.553 ' CE ' HG23 ' A' ' 92' ' ' THR . 83.6 mtp -61.3 -43.98 97.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.604 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.38 -43.55 98.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.007 0.432 . . . . 0.0 110.534 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.17 -42.86 96.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.25 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.7 -48.05 83.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -59.95 -43.37 95.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.329 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.33 -42.57 98.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.125 0.488 . . . . 0.0 110.524 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.35 96.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.25 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.629 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 90.0 mt -65.21 -39.97 93.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.641 179.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -61.43 -41.81 97.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.249 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -64.61 -39.54 93.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.136 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.544 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -67.02 -45.69 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.462 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.557 ' O ' HG23 ' A' ' 56' ' ' THR . 85.0 t60 -61.17 -39.4 90.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.36 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.478 ' O ' ' OG1' ' A' ' 56' ' ' THR . 41.1 mt -60.41 -43.46 96.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.331 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.58 -42.9 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.065 0.46 . . . . 0.0 110.05 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.418 ' OE1' HD13 ' A' ' 81' ' ' LEU . 42.5 tt0 -59.48 -44.98 92.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.251 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 52' ' ' HIS . 39.9 p -57.51 -40.48 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.068 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.97 -40.9 95.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.504 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.41 HD11 HG11 ' A' ' 7' ' ' VAL . 94.9 mt -65.42 -30.44 71.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.628 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.6 mt -84.98 -32.64 7.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -84.03 -9.23 58.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.62 164.73 34.01 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -82.36 115.63 21.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.601 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.27 140.5 58.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.488 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.487 ' H ' ' HD2' ' A' ' 67' ' ' LYS . . . -83.94 -172.91 49.4 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.28 124.14 21.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.707 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.82 -11.51 69.65 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.487 ' HD2' ' H ' ' A' ' 64' ' ' GLY . 99.3 mttt -96.08 143.36 27.29 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.743 0.306 . . . . 0.0 110.395 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.2 mtp -119.85 -162.35 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -61.2 -43.54 98.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -114.33 136.96 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.669 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.613 ' O ' HG23 ' A' ' 75' ' ' VAL . 77.7 p -130.26 162.35 29.15 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -58.54 -42.85 88.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.61 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.621 HG13 HG21 ' A' ' 8' ' ' VAL . 63.5 t -63.12 -48.2 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.634 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.75 -40.88 98.63 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 71' ' ' SER . 76.8 t -59.86 -47.61 90.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.148 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -58.62 -46.07 87.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.261 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.47 94.11 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.795 0.331 . . . . 0.0 110.681 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -63.5 -40.24 96.56 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.159 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 83' ' ' THR . 54.3 tp -58.66 -47.13 85.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.413 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -68.44 -48.55 64.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.789 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.544 HD21 ' HB1' ' A' ' 51' ' ' ALA . 14.7 mt -62.13 -45.38 93.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.819 -178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.35 -44.43 97.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.159 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.6 p -62.03 -45.84 91.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.081 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.421 ' CB ' ' HG ' ' A' ' 15' ' ' SER . 72.7 m -62.37 -47.52 83.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.392 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.75 -48.01 82.67 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.64 0.257 . . . . 0.0 110.53 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.56 -44.81 96.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.87 0.367 . . . . 0.0 110.127 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.74 87.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.85 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.629 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 8.8 tmm_? -58.45 -45.55 88.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.078 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.13 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.053 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.72 -42.95 97.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.238 0.542 . . . . 0.0 109.878 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.53 HD12 ' HB1' ' A' ' 22' ' ' ALA . 77.7 mt -60.11 -41.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.304 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.553 HG23 ' CE ' ' A' ' 41' ' ' MET . 67.1 m -57.31 -45.81 83.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.007 0.432 . . . . 0.0 109.883 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.61 -43.68 96.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.538 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.548 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 88.2 mt -59.67 -43.11 94.09 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.32 -42.86 95.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.594 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.16 -40.78 91.1 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 97' ' ' LEU . 88.3 mt -63.17 -42.31 99.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.908 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.548 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.3 m80 -59.21 -41.99 89.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.507 ' O ' ' O ' ' A' ' 102' ' ' LYS . 81.7 tt0 -61.46 -40.88 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.171 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -65.64 -37.58 86.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.219 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.55 -42.81 95.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.507 ' O ' ' O ' ' A' ' 99' ' ' GLU . 54.0 mtmt -94.73 142.52 27.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.536 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.544 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.99 -36.26 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 6' ' ' GLU . 84.7 tt0 -61.75 -71.22 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.049 0.452 . . . . 0.0 110.439 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.63 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.1 mt -38.25 -38.79 0.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.512 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.69 -46.93 80.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.882 0.372 . . . . 0.0 110.329 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.5 mt-10 -67.33 -36.4 81.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.169 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.3 -42.07 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.63 HG23 ' O ' ' B' ' 4' ' ' LEU . 76.3 t -60.16 -44.99 96.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.91 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.03 -41.57 88.11 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.46 -41.72 97.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.74 -43.56 98.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.757 0.313 . . . . 0.0 110.34 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.31 -44.04 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.664 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.85 -44.61 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.918 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 49.6 t-20 -61.64 -46.74 88.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.833 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.3 t -59.91 -44.58 94.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.135 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.76 -42.44 99.69 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.8 -42.4 97.72 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -49.56 76.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.888 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.38 -45.97 91.64 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -54.51 -44.0 72.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.43 -42.92 98.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.72 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -58.6 -49.71 76.46 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.3 -42.0 90.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.677 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.62 90.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.715 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.48 89.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.635 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.32 -45.66 93.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.321 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.59 -41.48 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.551 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.16 -41.97 97.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.903 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.478 ' O ' ' NZ ' ' B' ' 102' ' ' LYS . . . -59.44 -43.65 93.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.706 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.73 -30.0 69.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.01 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -83.08 -4.93 58.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.32 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.9 16.11 77.74 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.55 81.5 3.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.32 . . . . 0.0 110.303 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -64.07 -34.49 78.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -47.8 82.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 110.793 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.43 -35.77 81.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.44 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.96 77.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.509 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.18 -43.31 95.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.573 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.87 98.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.724 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 60.6 mtt -65.93 -40.41 91.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.464 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.595 ' HE1' HG23 ' B' ' 92' ' ' THR . 83.3 mtp -61.26 -44.06 97.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.603 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.41 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.24 -43.15 95.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.306 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -60.54 -47.83 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.541 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -60.27 -43.21 96.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.343 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.2 mmm -61.19 -42.48 98.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.309 0.576 . . . . 0.0 110.665 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.61 95.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.179 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.625 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 89.4 mt -64.97 -40.25 94.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.77 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.0 -41.96 97.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.36 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.71 -39.46 93.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.132 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.533 ' HB1' HD21 ' B' ' 81' ' ' LEU . . . -66.89 -45.88 76.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.444 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' HIS . . . . . 0.564 ' O ' HG23 ' B' ' 56' ' ' THR . 85.2 t60 -61.14 -39.18 89.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.332 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.481 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.7 mt -60.68 -43.23 97.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.314 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.7 -43.09 93.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.034 0.445 . . . . 0.0 110.022 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.414 ' OE1' HD13 ' B' ' 81' ' ' LEU . 42.1 tt0 -59.38 -44.82 92.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.209 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 52' ' ' HIS . 40.2 p -57.63 -40.83 80.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.005 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.72 -41.16 96.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.858 0.361 . . . . 0.0 110.514 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.77 -31.26 72.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.709 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 84.3 mt -84.36 -32.74 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.769 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -84.22 -9.03 58.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.544 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.86 164.76 34.91 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -82.57 115.62 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.31 140.48 58.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.503 ' H ' ' HD2' ' B' ' 67' ' ' LYS . . . -83.93 -173.33 49.7 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.89 124.27 22.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.579 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.86 -11.4 69.73 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.503 ' HD2' ' H ' ' B' ' 64' ' ' GLY . 99.1 mttt -96.11 143.51 27.17 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.651 0.262 . . . . 0.0 110.463 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 99.4 mtp -120.13 -162.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.703 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.24 -43.42 98.9 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.791 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -115.07 136.09 52.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.821 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.609 ' O ' HG23 ' B' ' 75' ' ' VAL . 57.8 p -129.34 164.1 24.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 -178.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.78 -42.93 98.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.551 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.618 HG13 HG21 ' B' ' 8' ' ' VAL . 57.5 t -61.92 -47.23 94.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.601 -178.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.51 -40.45 97.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.083 0.468 . . . . 0.0 110.964 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 71' ' ' SER . 71.6 t -60.02 -47.26 92.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.251 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -59.33 -45.96 89.92 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.264 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.76 94.48 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.896 0.379 . . . . 0.0 110.4 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -63.3 -40.76 98.24 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.171 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.548 ' O ' HG23 ' B' ' 83' ' ' THR . 53.0 tp -58.36 -46.75 85.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.39 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -68.85 -48.59 63.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.739 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.533 HD21 ' HB1' ' B' ' 51' ' ' ALA . 15.1 mt -62.06 -45.24 94.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -178.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.36 -44.35 97.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.194 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.548 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.6 p -62.21 -45.61 92.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.156 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 72.4 m -62.3 -47.96 81.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 64.9 ttp -58.38 -48.16 81.53 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.459 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.51 -44.85 96.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.121 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.3 88.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.843 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.625 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 8.8 tmm_? -59.0 -45.35 90.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.266 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.08 -43.51 98.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.189 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.8 -42.79 97.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.056 0.455 . . . . 0.0 110.025 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.493 HD12 ' HB1' ' B' ' 22' ' ' ALA . 74.7 mt -59.91 -41.82 87.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.207 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.595 HG23 ' HE1' ' B' ' 41' ' ' MET . 70.8 m -56.8 -45.86 81.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.058 0.456 . . . . 0.0 109.887 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.38 -44.09 95.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.493 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.529 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 88.7 mt -59.32 -43.43 92.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.11 -43.04 95.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.543 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -59.78 -41.05 90.28 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.02 -42.72 99.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.792 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 65.0 m80 -58.77 -41.89 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' B' ' 102' ' ' LYS . 82.3 tt0 -61.51 -41.06 96.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.114 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -65.57 -37.81 87.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.22 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 37.1 mt -64.22 -42.82 96.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.425 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.505 ' O ' ' O ' ' B' ' 99' ' ' GLU . 53.7 mtmt -94.91 142.7 27.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.547 179.874 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.78 -36.16 71.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.577 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' C' ' 6' ' ' GLU . 84.6 tt0 -62.18 -71.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.346 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.654 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.6 mt -38.3 -38.6 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.407 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.66 -47.13 79.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 0.0 110.425 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.5 mt-10 -67.04 -36.93 83.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.314 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.48 -42.3 95.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.355 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.654 HG23 ' O ' ' C' ' 4' ' ' LEU . 76.1 t -60.34 -44.92 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.972 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.2 mtp -59.03 -41.49 87.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.55 -41.69 97.77 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.69 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.396 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.27 -44.07 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.753 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.76 -44.49 98.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.065 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.443 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 49.4 t-20 -61.71 -46.79 88.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.736 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.7 t -59.88 -44.25 94.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.17 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -42.6 99.39 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -63.68 -42.15 98.07 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.26 -49.77 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.42 -46.15 91.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.4 m -54.44 -44.14 72.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.16 -42.71 99.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.673 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.511 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -58.88 -49.74 76.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.35 -41.96 90.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.541 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.63 -41.47 90.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.695 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.0 88.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.607 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.03 -45.36 93.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.427 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.7 -41.55 73.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.14 -41.89 97.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.868 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.48 ' O ' ' NZ ' ' C' ' 102' ' ' LYS . . . -59.56 -43.37 93.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.774 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.16 -29.57 69.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.088 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -83.18 -5.08 59.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.428 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.14 16.21 77.08 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.07 81.42 3.37 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.877 0.37 . . . . 0.0 110.256 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.84 -34.69 78.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -47.94 81.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.048 0.451 . . . . 0.0 110.72 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.99 81.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.365 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.7 -49.12 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.493 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -60.01 -43.42 95.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.541 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.08 97.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.728 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 59.9 mtt -65.54 -40.69 93.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.563 ' CE ' HG23 ' C' ' 92' ' ' THR . 84.0 mtp -61.19 -44.07 97.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.628 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.44 -43.62 98.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.456 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.88 -43.05 97.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.4 m -60.76 -47.58 85.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.548 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -60.27 -43.29 96.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.405 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.3 -42.61 98.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.366 0.603 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.85 97.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.315 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.618 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 90.1 mt -64.98 -40.65 95.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.769 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -60.81 -41.68 96.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.354 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.55 -39.97 94.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.995 0.426 . . . . 0.0 110.011 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.541 ' HB1' HD21 ' C' ' 81' ' ' LEU . . . -66.67 -46.33 76.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.351 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.57 ' O ' HG23 ' C' ' 56' ' ' THR . 85.1 t60 -60.51 -39.2 86.92 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.359 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' C' ' 56' ' ' THR . 39.9 mt -60.91 -43.05 99.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.297 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.81 -42.96 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.062 0.458 . . . . 0.0 110.011 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.423 ' OE1' HD13 ' C' ' 81' ' ' LEU . 42.3 tt0 -59.55 -44.91 93.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.217 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.57 HG23 ' O ' ' C' ' 52' ' ' HIS . 40.6 p -57.48 -40.47 78.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.131 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.08 -41.08 95.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 0.0 110.435 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' C' ' 58' ' ' LEU . 95.3 mt -64.94 -30.91 71.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.795 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 83.0 mt -84.56 -32.81 8.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.796 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.562 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.8 mm-40 -83.96 -9.2 58.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.486 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.86 165.35 33.9 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -82.83 116.02 21.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.865 0.365 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.83 140.14 57.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.453 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 64' ' ' GLY . . . . . 0.495 ' H ' ' HD2' ' C' ' 67' ' ' LYS . . . -83.63 -173.35 49.67 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.79 124.38 22.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 110.585 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.69 -11.43 69.91 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.495 ' HD2' ' H ' ' C' ' 64' ' ' GLY . 99.1 mttt -96.17 143.39 27.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.598 0.237 . . . . 0.0 110.559 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 99.3 mtp -120.11 -162.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.587 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.18 -43.43 98.89 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.67 135.65 53.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.716 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.607 ' O ' HG23 ' C' ' 75' ' ' VAL . 54.0 p -127.93 166.21 18.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.475 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.41 -42.19 99.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.622 -177.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.57 HG13 HG21 ' C' ' 8' ' ' VAL . 53.8 t -63.22 -47.5 91.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 130.151 3.381 . . . . 0.0 110.593 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.54 -40.34 92.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.081 0.467 . . . . 0.0 110.99 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.607 HG23 ' O ' ' C' ' 71' ' ' SER . 74.2 t -60.3 -47.54 91.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.22 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.35 -46.05 89.7 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.32 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.84 94.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.896 0.379 . . . . 0.0 110.414 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -63.15 -40.64 98.17 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.331 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.56 ' O ' HG23 ' C' ' 83' ' ' THR . 51.4 tp -58.26 -47.15 84.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.485 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -68.56 -48.88 63.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.734 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 81' ' ' LEU . . . . . 0.541 HD21 ' HB1' ' C' ' 51' ' ' ALA . 15.0 mt -61.73 -45.2 94.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.837 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.41 -44.47 97.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.335 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.56 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.8 p -62.11 -45.73 92.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.204 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 72.8 m -62.2 -47.86 82.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.539 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.39 -48.12 81.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.687 0.279 . . . . 0.0 110.488 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.57 -44.74 96.46 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.195 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.8 -46.35 87.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.968 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.618 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 8.8 tmm_? -59.11 -45.15 91.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.287 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.22 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.156 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.08 -42.57 96.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.193 0.52 . . . . 0.0 109.973 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.511 HD12 ' HB1' ' C' ' 22' ' ' ALA . 75.9 mt -60.28 -41.36 86.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.353 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.563 HG23 ' CE ' ' C' ' 41' ' ' MET . 75.4 m -56.9 -45.71 82.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.102 0.477 . . . . 0.0 109.963 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.93 -43.77 94.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.456 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.569 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 89.3 mt -59.41 -43.07 93.08 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.62 -42.7 95.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.613 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -59.96 -40.93 90.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.147 0.499 . . . . 0.0 109.74 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.05 -42.55 99.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.863 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 65.4 m80 -58.99 -41.89 88.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.733 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' C' ' 102' ' ' LYS . 82.7 tt0 -61.6 -40.82 96.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.124 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.67 -37.59 86.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.224 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.54 -42.75 95.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.344 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.508 ' O ' ' O ' ' C' ' 99' ' ' GLU . 53.9 mtmt -94.94 142.75 27.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.448 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.487 179.789 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.529 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 121.859 0.838 . . . . 0.0 108.925 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.8 143.0 36.65 Favored 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.35 38.68 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.007 -1.058 . . . . 0.0 109.556 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.13 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 152.38 18.9 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.114 -0.991 . . . . 0.0 108.41 178.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.9 144.28 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.65 136.62 36.92 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-O 122.132 0.967 . . . . 0.0 110.125 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.98 114.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.82 -4.34 19.39 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.813 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.47 141.86 85.94 Favored Pre-proline 0 N--CA 1.499 2.015 0 O-C-N 119.692 -1.88 . . . . 0.0 110.619 178.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.5 -47.68 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.747 3.631 . . . . 0.0 114.174 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.487 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.4 m-20 -102.16 27.62 6.51 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 116.038 -2.265 . . . . 0.0 108.743 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 58.9 -146.74 41.98 Favored Glycine 0 N--CA 1.496 2.694 0 C-N-CA 117.719 -2.182 . . . . 0.0 109.613 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.6 tp -87.43 79.56 8.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.902 -1.352 . . . . 0.0 109.517 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 315' ' ' HIS . . . . . 0.417 ' CE1' ' H ' ' D' ' 317' ' ' ARG . 2.5 p80 -76.25 177.25 7.38 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 117.883 -1.527 . . . . 0.0 112.159 -178.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 6.6 p -36.14 -69.06 0.11 Allowed 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.498 ' N ' ' OG1' ' D' ' 316' ' ' THR . 7.3 tmm_? -56.18 -52.79 70.1 Favored Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 120.127 -0.629 . . . . 0.0 112.514 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.42 -32.26 60.64 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 120.768 0.979 . . . . 0.0 111.486 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.506 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.75 86.68 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.585 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.525 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.91 -39.78 72.52 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -63.89 -39.41 94.12 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 117.924 -1.511 . . . . 0.0 109.543 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.442 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.61 -45.32 93.43 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 122.674 1.226 . . . . 0.0 108.762 -177.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.617 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 67.3 t -62.67 -42.22 95.25 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.223 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.633 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.538 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.4 mttt -63.98 -40.18 95.81 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.217 -0.927 . . . . 0.0 109.764 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.73 -39.73 80.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.432 -0.793 . . . . 0.0 109.624 177.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.0 91.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.649 -1.282 . . . . 0.0 109.468 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 327' ' ' LYS . . . . . 0.617 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.3 mttp -61.3 -16.28 44.03 Favored 'General case' 0 N--CA 1.511 2.599 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.84 -10.61 86.01 Favored Glycine 0 N--CA 1.48 1.605 0 O-C-N 119.948 -1.72 . . . . 0.0 109.308 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.3 32.89 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.3 -1.706 . . . . 0.0 109.977 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.4 p -75.49 -30.17 59.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.171 -0.955 . . . . 0.0 112.352 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.57 10.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 119.837 -1.789 . . . . 0.0 112.871 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.22 35.35 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 102.796 -3.039 . . . . 0.0 102.796 171.301 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.432 0 O-C-N 121.082 -1.011 . . . . 0.0 109.351 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -124.92 143.18 51.0 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-O 123.105 1.431 . . . . 0.0 110.014 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.7 t -108.07 130.0 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.9 m -127.49 119.51 26.23 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.867 -1.146 . . . . 0.0 108.977 -178.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.48 122.62 39.37 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.533 -0.729 . . . . 0.0 109.931 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.72 38.91 24.19 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.843 -1.161 . . . . 0.0 112.766 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.11 83.44 Favored Glycine 0 N--CA 1.503 3.117 0 O-C-N 119.998 -1.688 . . . . 0.0 112.512 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.9 136.22 54.59 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 177.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.77 158.56 33.01 Favored 'General case' 0 C--N 1.276 -2.629 0 CA-C-O 123.837 1.779 . . . . 0.0 112.375 -175.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.37 31.33 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 112.466 -2.152 . . . . 0.0 108.572 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.64 135.94 48.75 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 173.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.446 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.89 -6.82 47.67 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.794 -1.191 . . . . 0.0 110.73 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.5 13.01 31.39 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.69 -1.257 . . . . 0.0 109.359 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.4 t -133.13 104.16 6.37 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 122.163 0.982 . . . . 0.0 110.116 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.424 HD22 ' CE ' ' A' ' 9' ' ' MET . 58.3 tp -57.17 -37.96 72.89 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.98 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -58.92 -51.29 70.68 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.594 -1.316 . . . . 0.0 113.07 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.49 70.65 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 119.599 -1.938 . . . . 0.0 109.162 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.81 75.92 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.924 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.554 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 10.9 tp-100 -67.61 -10.47 52.34 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.676 -0.64 . . . . 0.0 109.967 -177.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.0 p -89.79 -7.72 53.77 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 118.105 -1.438 . . . . 0.0 110.911 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 353' ' ' LEU . . . . . 0.478 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 96.3 mt -93.39 159.32 15.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.24 -0.912 . . . . 0.0 110.111 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.9 2.97 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 106.878 -2.489 . . . . 0.0 106.878 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.1 mt -119.69 47.39 1.73 Allowed 'General case' 0 C--N 1.308 -1.207 0 O-C-N 120.678 -1.483 . . . . 0.0 107.393 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 34.7 p -81.48 172.51 13.42 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.786 -1.166 . . . . 0.0 109.231 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.68 140.9 57.31 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.855 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.47 -3.21 78.85 Favored Glycine 0 N--CA 1.501 2.996 0 C-N-CA 120.034 -1.079 . . . . 0.0 111.294 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.44 135.91 34.06 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.9 -1.353 . . . . 0.0 110.61 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.47 123.75 48.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.7 m -112.21 160.11 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.297 0 C-N-CA 117.413 -1.715 . . . . 0.0 110.684 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.88 128.4 54.89 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.541 -1.349 . . . . 0.0 107.549 175.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.88 121.28 60.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.29 50.69 Favored 'General case' 0 C--N 1.285 -2.223 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.555 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.45 47.17 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 118.467 -1.293 . . . . 0.0 109.732 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.23 110.77 6.41 Favored 'General case' 0 C--N 1.287 -2.122 0 C-N-CA 118.591 -1.243 . . . . 0.0 108.038 178.17 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.3 40.16 Favored Glycine 0 C--N 1.297 -1.637 0 C-N-CA 117.952 -2.07 . . . . 0.0 110.3 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.38 -40.62 82.83 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.3 -0.95 . . . . 0.0 112.153 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 115.883 -2.327 . . . . 0.0 108.542 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.58 65.88 Favored 'General case' 0 N--CA 1.521 3.08 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -174.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.44 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.64 27.5 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 119.544 -1.973 . . . . 0.0 110.944 -176.543 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.762 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.65 97.51 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.55 77.43 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 117.459 -1.696 . . . . 0.0 110.014 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.4 t -66.83 -42.14 88.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-O 122.202 1.001 . . . . 0.0 109.26 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.97 -47.83 76.94 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 122.046 0.927 . . . . 0.0 108.725 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.762 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.78 -38.35 76.68 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.729 -178.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.2 mt -75.62 -28.57 58.89 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.475 -1.39 . . . . 0.0 110.842 -174.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.46 70.75 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.427 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.99 -49.23 62.86 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.22 -45.22 84.06 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 119.06 -1.056 . . . . 0.0 110.579 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.36 -37.38 85.47 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.943 -1.098 . . . . 0.0 111.545 -177.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.96 -31.79 61.55 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.135 -0.978 . . . . 0.0 110.228 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.91 -32.27 45.63 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.503 -0.748 . . . . 0.0 111.335 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.04 125.44 12.14 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 124.238 1.97 . . . . 0.0 112.888 178.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.813 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.9 tt0 . . . . . 0 C--N 1.277 -2.556 0 CA-C-N 111.158 -2.746 . . . . 0.0 110.106 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.77 -36.98 72.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.494 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 6' ' ' GLU . 84.1 tt0 -62.7 -69.57 0.25 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.509 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.629 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.4 mt -38.29 -38.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.494 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.81 -47.4 78.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.939 0.4 . . . . 0.0 110.313 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.4 mt-10 -66.81 -36.68 82.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.292 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.84 -42.37 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.367 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.681 HG21 HG13 ' A' ' 73' ' ' VAL . 79.2 t -60.41 -44.68 96.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.015 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.424 ' CE ' HD22 ' D' ' 347' ' ' LEU . 92.0 mtp -59.33 -42.1 90.67 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.89 -41.95 97.18 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.45 -42.88 98.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.21 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.9 -44.27 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.765 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.538 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 89.7 mt -63.3 -43.7 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.97 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -61.65 -46.06 91.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.813 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -60.38 -44.78 95.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.002 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.33 99.3 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -63.81 -44.67 92.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.401 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.14 -49.41 77.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.892 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.45 -45.9 91.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -55.1 -43.84 74.36 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.12 -41.45 98.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.648 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.88 -48.44 79.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -60.35 -40.96 92.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.615 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.97 92.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.7 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.92 -42.59 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.653 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.43 -44.66 96.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.518 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -55.65 -42.57 75.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.12 -42.03 98.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.775 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.23 95.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.725 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.5 -29.07 69.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.101 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -79.66 -4.32 51.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.4 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 12.83 75.74 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -96.68 80.47 3.08 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.74 0.305 . . . . 0.0 110.29 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -65.12 -34.6 78.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.659 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.2 -48.41 80.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.064 0.459 . . . . 0.0 110.757 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.57 80.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.354 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.53 78.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.585 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.29 -42.39 98.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.596 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.63 98.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.774 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.72 -42.64 90.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.474 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.566 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.1 mtm -64.15 -41.0 97.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.681 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -61.58 -47.28 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.01 0.433 . . . . 0.0 110.605 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.7 -40.68 97.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.233 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.83 -46.46 89.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.68 -42.94 98.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.35 -42.59 98.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.231 0.538 . . . . 0.0 110.604 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.69 97.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.216 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.622 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 95.0 mt -65.51 -40.37 92.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.691 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -61.03 -41.69 97.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.345 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.79 -39.5 93.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.173 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.92 -44.16 77.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.409 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.605 ' O ' HG23 ' A' ' 56' ' ' THR . 60.1 t-80 -62.11 -38.72 89.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.368 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.515 ' O ' ' OG1' ' A' ' 56' ' ' THR . 40.9 mt -61.02 -43.69 98.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.348 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.02 -43.36 92.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 110.0 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -60.6 -43.93 96.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.264 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 52' ' ' HIS . 32.8 p -57.23 -41.53 79.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.002 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.01 -38.63 91.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.909 0.385 . . . . 0.0 110.574 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.63 -28.9 69.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.631 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.8 mt -89.91 -33.77 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.862 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 61' ' ' GLY . 80.5 mm-40 -82.52 -6.04 59.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.534 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 60' ' ' GLU . . . -46.65 179.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.511 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 50.8 p-10 -85.61 97.14 9.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.573 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.2 142.32 50.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.525 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.434 ' H ' ' HD3' ' A' ' 67' ' ' LYS . . . -67.39 168.56 38.3 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.78 119.44 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.736 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.3 4.98 87.39 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.434 ' HD3' ' H ' ' A' ' 64' ' ' GLY . 50.3 tttp -81.62 137.37 35.48 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.678 0.275 . . . . 0.0 110.446 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.486 ' N ' ' SD ' ' A' ' 68' ' ' MET . 4.2 mpp? -77.46 152.16 34.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.666 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -78.55 -8.47 58.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.84 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -113.51 132.17 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.706 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 75' ' ' VAL . 85.0 p -136.43 172.09 13.52 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.588 HD22 HD11 ' B' ' 72' ' ' LEU . 4.2 mm? -57.61 -45.91 84.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.617 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.681 HG13 HG21 ' A' ' 8' ' ' VAL . 71.4 t -64.29 -47.66 88.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.888 0.375 . . . . 0.0 110.619 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.49 -41.67 98.56 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -178.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 71' ' ' SER . 54.7 t -59.3 -47.93 88.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.221 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -58.95 -45.27 90.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.17 94.27 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.78 0.324 . . . . 0.0 110.673 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.39 -41.3 98.76 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.153 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 83' ' ' THR . 54.7 tp -57.31 -46.73 82.91 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.365 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -67.31 -46.71 72.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.743 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.42 -45.91 92.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.836 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.3 mmm -62.19 -43.87 97.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.141 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.5 p -64.08 -47.36 80.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -62.16 -48.8 78.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.476 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.95 -47.47 82.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.529 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.03 -45.93 91.4 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.125 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.7 80.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.849 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.622 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 7.7 tmm_? -57.86 -45.54 86.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.147 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' B' ' 23' ' ' TYR . 83.8 tt0 -61.8 -43.5 98.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.142 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.84 -42.51 97.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 109.823 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.451 HD12 ' HB1' ' A' ' 22' ' ' ALA . 75.8 mt -59.74 -41.7 86.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.274 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.9 m -58.32 -45.17 88.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.41 -43.86 97.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.583 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 91.5 mt -58.93 -43.16 91.11 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.566 HD12 ' SD ' ' A' ' 41' ' ' MET . 92.0 mt -61.64 -42.42 94.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.495 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.39 -40.59 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.1 0.476 . . . . 0.0 109.741 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.52 -41.66 97.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.904 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 65.9 m80 -59.92 -38.84 83.52 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 102' ' ' LYS . 10.2 tm-20 -63.19 -39.4 94.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.236 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.22 -39.47 92.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.178 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.8 mt -63.32 -41.92 98.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' A' ' 99' ' ' GLU . 68.9 mttm -92.67 142.04 27.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.469 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.595 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.82 -37.08 73.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.605 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' B' ' 6' ' ' GLU . 83.6 tt0 -62.57 -69.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.412 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.629 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.2 mt -38.13 -38.33 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.504 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -47.34 78.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 110.31 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.0 mt-10 -67.0 -36.56 82.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.193 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.61 -42.72 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.646 HG21 HG13 ' B' ' 73' ' ' VAL . 77.2 t -60.26 -45.01 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.829 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.8 mtp -59.15 -41.83 89.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.22 -42.15 96.47 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.12 -42.68 99.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.768 0.318 . . . . 0.0 110.339 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.4 -44.4 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.599 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.72 -44.34 99.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.863 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' B' ' 14' ' ' ASN . 52.3 t-20 -61.35 -46.06 91.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.806 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -60.33 -44.61 95.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.056 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.39 -41.85 99.28 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -64.29 -44.75 90.69 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.421 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.93 -49.53 76.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.915 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.39 -45.84 92.1 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 70.1 m -55.24 -43.72 74.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.13 -41.5 98.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.796 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.46 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.66 -48.69 78.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 24.0 m-85 -60.25 -40.48 90.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.717 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.29 94.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.711 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.36 84.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.68 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.7 -44.82 96.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.338 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -55.68 -42.29 74.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.25 -42.08 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.843 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.11 96.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.705 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.51 -28.89 69.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.079 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.0 -4.23 51.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.376 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.01 12.84 76.01 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.65 80.29 3.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.842 0.354 . . . . 0.0 110.294 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -65.19 -34.39 78.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.81 78.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 110.812 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.45 80.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.449 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.83 77.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.564 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -60.72 -42.88 98.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.8 99.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.7 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.75 -42.34 91.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.53 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.576 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.4 mtm -64.43 -41.06 96.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.62 -47.38 85.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.462 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -62.51 -40.86 98.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.315 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' B' ' 41' ' ' MET . 77.7 p -61.77 -46.62 88.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.488 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.48 -42.77 96.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.309 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.52 -42.71 99.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.285 0.565 . . . . 0.0 110.608 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.44 97.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.161 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.616 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 95.2 mt -65.93 -40.47 91.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.7 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -60.81 -41.53 95.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.329 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.13 -39.69 93.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.106 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.59 -44.23 78.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.454 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' HIS . . . . . 0.607 ' O ' HG23 ' B' ' 56' ' ' THR . 60.2 t-80 -62.29 -38.65 90.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.281 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.506 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.9 mt -61.02 -43.73 98.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.372 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.07 -43.28 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 0.0 110.035 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -60.71 -44.03 97.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.243 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.607 HG23 ' O ' ' B' ' 52' ' ' HIS . 32.3 p -57.1 -41.46 78.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.969 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.08 -38.6 91.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.922 0.391 . . . . 0.0 110.587 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -65.71 -28.73 69.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.689 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 76.2 mt -89.83 -33.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' B' ' 61' ' ' GLY . 80.8 mm-40 -82.71 -5.85 59.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.576 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' B' ' 60' ' ' GLU . . . -46.19 179.27 0.01 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.509 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 50.8 p-10 -85.27 96.66 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.574 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.9 142.63 51.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.384 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.435 ' H ' ' HD3' ' B' ' 67' ' ' LYS . . . -67.81 168.9 39.28 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.05 119.31 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.602 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.7 4.82 88.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.435 ' HD3' ' H ' ' B' ' 64' ' ' GLY . 51.2 tttp -81.55 138.18 35.45 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.692 0.282 . . . . 0.0 110.472 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' MET . . . . . 0.488 ' N ' ' SD ' ' B' ' 68' ' ' MET . 4.2 mpp? -78.38 152.76 32.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.616 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -78.92 -8.01 58.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.402 ' O ' HG13 ' B' ' 70' ' ' VAL . 11.7 p -114.89 131.67 66.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.801 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.624 ' O ' HG23 ' B' ' 75' ' ' VAL . 97.7 p -136.38 172.82 12.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.547 -178.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.59 HD22 HD11 ' C' ' 72' ' ' LEU . 4.0 mm? -58.81 -46.04 88.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.566 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.646 HG13 HG21 ' B' ' 8' ' ' VAL . 64.4 t -63.59 -46.58 94.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.643 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.35 -41.0 96.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.996 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 71' ' ' SER . 54.6 t -59.5 -47.7 89.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.312 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.28 -45.59 90.84 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.275 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.19 95.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.87 0.366 . . . . 0.0 110.424 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.52 -41.37 98.5 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.286 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.462 ' O ' HG23 ' B' ' 83' ' ' THR . 53.9 tp -57.16 -46.54 82.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.397 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -67.57 -46.65 72.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.761 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.65 -45.32 94.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.9 mmm -62.75 -43.32 99.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.262 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.462 HG23 ' O ' ' B' ' 79' ' ' LEU . 19.9 p -64.61 -47.41 78.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.129 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.2 -48.23 80.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.597 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.19 -47.86 82.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.522 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.79 -45.81 92.24 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.2 82.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.932 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.616 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 7.8 tmm_? -58.53 -45.17 89.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.278 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.475 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 83.7 tt0 -62.01 -43.67 98.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.146 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.8 -42.24 97.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 110.056 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.46 HD12 ' HB1' ' B' ' 22' ' ' ALA . 75.8 mt -59.85 -41.93 87.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.167 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.4 m -57.9 -45.49 86.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.087 0.47 . . . . 0.0 109.846 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.31 -43.98 97.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.466 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.543 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 90.9 mt -58.71 -42.95 89.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.576 HD12 ' SD ' ' B' ' 41' ' ' MET . 91.6 mt -61.87 -42.66 95.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.515 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.11 -40.53 94.1 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.58 -41.83 97.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.832 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.2 m80 -59.74 -38.63 82.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.748 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' B' ' 102' ' ' LYS . 10.4 tm-20 -63.45 -39.58 94.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.14 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.18 -39.1 92.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.183 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' B' ' 101' ' ' LEU . 42.7 mt -63.47 -42.18 98.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.397 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' B' ' 99' ' ' GLU . 68.9 mttm -92.65 142.39 27.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.62 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.81 -36.87 72.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.633 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' C' ' 6' ' ' GLU . 84.1 tt0 -62.71 -69.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.366 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.629 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.9 mt -38.05 -38.53 0.33 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.428 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.84 -47.41 78.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.379 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' C' ' 3' ' ' GLU . 96.9 mt-10 -66.75 -36.5 82.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.383 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.8 -42.63 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.631 HG21 HG13 ' C' ' 73' ' ' VAL . 79.7 t -60.24 -44.9 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.029 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.3 -41.95 90.19 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.35 96.78 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 11' ' ' LEU . 83.2 mt -62.84 -42.8 99.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.381 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.12 -44.17 99.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.619 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.12 -44.23 99.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.99 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' C' ' 14' ' ' ASN . 52.0 t-20 -61.19 -46.52 90.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.852 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.6 t -60.02 -44.7 94.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.189 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.83 99.44 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.42 -45.16 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.407 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -57.4 -49.99 74.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.14 -45.82 91.73 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -55.28 -43.91 75.18 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 21' ' ' LEU . 80.0 mt -61.85 -41.34 97.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.7 178.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.468 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.82 -48.97 78.22 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.475 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.1 m-85 -60.12 -41.03 91.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.531 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.48 91.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.745 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 -42.31 83.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.641 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.72 -44.44 96.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.439 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.07 -42.28 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.53 -41.35 98.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.897 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.41 -43.78 96.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.823 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.17 -29.09 69.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.034 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -79.37 -4.8 52.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.468 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.62 12.18 75.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.03 80.46 3.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.75 0.31 . . . . 0.0 110.332 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -65.22 -34.57 78.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.558 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.24 80.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.724 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.35 -35.15 79.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.375 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.06 -48.56 78.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.493 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -60.74 -43.24 98.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.624 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.09 99.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.755 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.36 -42.66 92.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.549 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.564 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.6 mtm -64.17 -41.24 97.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.571 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.51 -47.63 84.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.428 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.29 -40.71 97.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.35 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.7 p -61.95 -46.38 89.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.502 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.92 -42.54 98.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.313 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.5 -42.97 99.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.353 0.597 . . . . 0.0 110.542 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.83 98.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.354 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.622 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 94.1 mt -65.74 -40.43 92.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -61.06 -41.5 96.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.368 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -64.65 -40.16 94.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.015 0.436 . . . . 0.0 110.05 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -44.48 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.369 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.613 ' O ' HG23 ' C' ' 56' ' ' THR . 60.1 t-80 -61.77 -38.71 89.06 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.274 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.493 ' O ' ' OG1' ' C' ' 56' ' ' THR . 40.7 mt -61.3 -43.57 98.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.271 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.93 -43.36 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.045 0.45 . . . . 0.0 109.972 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -60.81 -43.95 97.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.245 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.613 HG23 ' O ' ' C' ' 52' ' ' HIS . 33.9 p -57.13 -41.35 78.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.134 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.26 -38.66 92.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.936 0.398 . . . . 0.0 110.48 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -65.34 -28.98 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 77.0 mt -89.85 -34.0 6.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.835 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.554 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.9 mm-40 -82.46 -5.91 58.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.498 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 61' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' C' ' 60' ' ' GLU . . . -46.24 -179.87 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 50.5 p-10 -86.06 96.34 9.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.905 0.383 . . . . 0.0 110.583 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.69 142.95 51.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 64' ' ' GLY . . . . . 0.441 ' H ' ' HD3' ' C' ' 67' ' ' LYS . . . -68.1 168.83 40.49 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.73 119.38 9.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.688 0.28 . . . . 0.0 110.652 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.41 4.83 87.48 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.441 ' HD3' ' H ' ' C' ' 64' ' ' GLY . 51.5 tttp -81.41 137.83 35.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.548 0.213 . . . . 0.0 110.618 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 68' ' ' MET . . . . . 0.491 ' N ' ' SD ' ' C' ' 68' ' ' MET . 4.2 mpp? -78.12 153.08 32.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.581 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -79.26 -7.78 58.53 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.407 ' O ' HG13 ' C' ' 70' ' ' VAL . 11.5 p -114.64 131.22 67.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.682 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.636 ' O ' HG23 ' C' ' 75' ' ' VAL . 93.0 p -135.28 174.99 10.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.554 -178.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.59 HD11 HD22 ' B' ' 72' ' ' LEU . 3.8 mm? -60.66 -45.02 95.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.637 -177.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.631 HG13 HG21 ' C' ' 8' ' ' VAL . 61.6 t -64.73 -46.87 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 130.06 3.344 . . . . 0.0 110.657 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.48 -40.93 89.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.636 HG23 ' O ' ' C' ' 71' ' ' SER . 54.2 t -59.78 -48.22 88.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.232 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.28 -45.11 92.13 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.292 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.08 94.46 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.864 0.364 . . . . 0.0 110.383 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -63.82 -41.2 97.92 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.236 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.464 ' O ' HG23 ' C' ' 83' ' ' THR . 52.8 tp -57.19 -46.64 82.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.492 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -67.59 -46.78 71.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.704 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -61.44 -45.74 93.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.803 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.3 -43.59 98.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.345 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.464 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.7 p -64.41 -47.65 78.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.171 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -61.84 -48.43 80.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.609 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -58.1 -47.95 81.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.516 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.58 -46.04 91.59 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.178 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.54 81.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.901 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.622 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 7.8 tmm_? -58.24 -45.16 88.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.227 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.93 -43.75 98.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.158 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.84 -42.26 97.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.12 0.486 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.468 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.4 mt -59.72 -41.93 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.407 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 89.3 m -57.88 -45.32 86.54 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.973 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.48 -44.09 97.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.459 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.516 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 91.0 mt -58.43 -43.22 88.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 95' ' ' ILE . . . . . 0.564 HD12 ' SD ' ' C' ' 41' ' ' MET . 92.2 mt -61.58 -42.8 95.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.615 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -60.99 -40.52 93.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.724 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 97' ' ' LEU . 84.5 mt -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.89 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 66.3 m80 -60.07 -38.42 82.81 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' C' ' 102' ' ' LYS . 10.3 tm-20 -63.53 -39.72 95.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.156 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.99 -39.13 93.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.199 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.4 -42.35 98.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.315 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' C' ' 99' ' ' GLU . 68.8 mttm -92.56 142.12 27.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.462 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.531 -179.849 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.535 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.929 0.871 . . . . 0.0 108.935 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.465 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.76 143.05 36.76 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.34 38.61 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.064 -1.022 . . . . 0.0 109.502 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.12 28.41 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.24 19.0 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.412 178.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.75 144.39 19.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.61 37.0 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.115 0.96 . . . . 0.0 110.145 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 308' ' ' ILE . . . . . 0.483 HD13 HD23 ' D' ' 314' ' ' LEU . 50.8 mt -84.96 114.29 24.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.9 -4.26 19.35 Favored 'General case' 0 C--N 1.265 -3.07 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.806 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.8 85.83 Favored Pre-proline 0 N--CA 1.499 2.012 0 O-C-N 119.672 -1.892 . . . . 0.0 110.608 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.52 -47.63 13.0 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 124.728 3.619 . . . . 0.0 114.152 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.606 ' CB ' ' NE2' ' C' ' 52' ' ' HIS . 1.5 p30 -102.22 27.72 6.46 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 116.014 -2.274 . . . . 0.0 108.743 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 57.14 -148.13 33.41 Favored Glycine 0 N--CA 1.496 2.675 0 C-N-CA 117.659 -2.21 . . . . 0.0 109.631 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.483 HD23 HD13 ' D' ' 308' ' ' ILE . 1.4 mm? -83.53 82.71 8.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.846 -1.385 . . . . 0.0 109.529 -177.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 315' ' ' HIS . . . . . 0.432 ' CE1' ' H ' ' D' ' 317' ' ' ARG . 3.1 p80 -78.92 179.03 7.53 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 117.857 -1.537 . . . . 0.0 112.129 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.474 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 7.6 p -36.92 -68.77 0.13 Allowed 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 -176.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.474 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.9 tmm_? -58.43 -51.59 80.73 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 120.148 -0.621 . . . . 0.0 112.499 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.9 Cg_endo -64.72 -32.19 57.44 Favored 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 120.939 1.093 . . . . 0.0 111.468 -177.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.478 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.86 86.86 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.231 -0.918 . . . . 0.0 109.482 -179.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.96 -39.65 72.42 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -64.02 -39.42 94.05 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 117.953 -1.499 . . . . 0.0 109.427 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.61 -45.32 93.39 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.677 1.227 . . . . 0.0 108.738 -177.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.478 HG23 ' O ' ' D' ' 319' ' ' ALA . 55.8 t -62.68 -42.27 95.43 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.215 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.649 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.566 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.2 mttt -63.83 -40.28 96.22 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.209 -0.932 . . . . 0.0 109.794 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.536 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.8 -39.66 80.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.477 -0.764 . . . . 0.0 109.559 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.09 -44.01 91.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.599 -1.313 . . . . 0.0 109.44 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.32 -16.18 43.25 Favored 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.61 86.1 Favored Glycine 0 N--CA 1.48 1.593 0 O-C-N 119.988 -1.695 . . . . 0.0 109.278 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.404 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.49 143.36 32.82 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.277 -1.72 . . . . 0.0 110.072 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.6 -30.18 59.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.223 -0.923 . . . . 0.0 112.231 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.72 158.51 10.14 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.873 -1.767 . . . . 0.0 112.88 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.18 35.32 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 171.315 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.66 136.54 60.51 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 CA-C-O 122.205 1.002 . . . . 0.0 109.335 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.86 143.14 50.99 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-O 123.114 1.435 . . . . 0.0 109.997 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.04 129.92 61.41 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 173.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.0 m -127.49 119.58 26.39 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.963 -1.086 . . . . 0.0 108.887 -178.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.58 39.22 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.582 -0.699 . . . . 0.0 109.953 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.78 39.01 24.63 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.913 -1.117 . . . . 0.0 112.73 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.61 10.94 83.7 Favored Glycine 0 N--CA 1.5 2.957 0 O-C-N 119.934 -1.729 . . . . 0.0 112.607 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.82 136.22 54.56 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 67.9 m -124.7 158.53 32.98 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.825 1.774 . . . . 0.0 112.429 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.69 151.37 31.35 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-N 112.498 -2.137 . . . . 0.0 108.57 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.55 135.9 48.88 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.95 -6.82 47.82 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.693 -1.254 . . . . 0.0 110.727 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.46 12.99 31.39 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.587 -1.321 . . . . 0.0 109.399 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 95.4 p -133.11 104.15 6.37 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.226 1.012 . . . . 0.0 110.123 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.19 -37.88 72.83 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.997 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -58.86 -51.45 69.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.561 -1.337 . . . . 0.0 113.036 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.06 -32.38 70.45 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.544 -1.972 . . . . 0.0 109.176 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.8 -33.83 76.01 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.926 -177.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.569 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 59.4 tt0 -67.53 -10.54 52.73 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.674 -0.641 . . . . 0.0 109.956 -177.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.7 p -89.75 -7.69 53.92 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 118.151 -1.42 . . . . 0.0 110.911 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 353' ' ' LEU . . . . . 0.474 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.7 mt -93.38 159.26 15.33 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 110.188 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.61 104.86 2.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 106.933 -2.467 . . . . 0.0 106.933 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 78.9 mt -119.59 47.36 1.73 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 120.705 -1.468 . . . . 0.0 107.436 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.993 HG22 HG21 ' C' ' 56' ' ' THR . 2.9 p -81.5 172.51 13.41 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.211 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -60.68 140.95 57.29 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.901 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.28 79.08 Favored Glycine 0 N--CA 1.501 2.968 0 C-N-CA 119.976 -1.107 . . . . 0.0 111.414 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.41 135.94 34.06 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.818 -1.401 . . . . 0.0 110.592 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.2 t -96.55 123.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.491 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.3 m -112.16 160.06 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 117.398 -1.721 . . . . 0.0 110.634 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.6 m -108.89 128.36 54.85 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 120.526 -1.359 . . . . 0.0 107.601 175.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.84 121.43 60.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.419 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.29 50.69 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.78 153.39 47.13 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.72 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.69 6.37 Favored 'General case' 0 C--N 1.287 -2.118 0 C-N-CA 118.563 -1.255 . . . . 0.0 108.088 178.14 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.3 -170.29 40.18 Favored Glycine 0 C--N 1.296 -1.68 0 C-N-CA 118.002 -2.047 . . . . 0.0 110.353 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.59 82.53 Favored 'General case' 0 C--N 1.276 -2.598 0 CA-C-N 114.42 -0.89 . . . . 0.0 112.234 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.04 36.78 3.55 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 115.862 -2.335 . . . . 0.0 108.62 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.45 -33.45 65.91 Favored 'General case' 0 N--CA 1.521 3.082 0 N-CA-C 116.906 2.188 . . . . 0.0 116.906 -174.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.462 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.67 27.56 Favored 'General case' 0 N--CA 1.509 2.484 0 O-C-N 119.569 -1.957 . . . . 0.0 110.946 -176.61 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.768 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.56 -40.66 97.56 Favored 'General case' 0 C--N 1.283 -2.293 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.52 77.53 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.464 -1.695 . . . . 0.0 110.039 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.77 -42.25 89.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 122.203 1.001 . . . . 0.0 109.298 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.93 -47.9 76.7 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.972 0.892 . . . . 0.0 108.75 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.768 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.71 -38.32 76.89 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.8 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' D' ' 377' ' ' LEU . 81.1 mt -75.61 -28.64 58.95 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.367 -1.458 . . . . 0.0 110.897 -174.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.5 70.97 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.447 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.16 63.5 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.536 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.25 84.26 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 118.996 -1.082 . . . . 0.0 110.465 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.491 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.33 -37.42 85.54 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.919 -1.113 . . . . 0.0 111.538 -177.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.67 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.068 -1.02 . . . . 0.0 110.274 -178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.81 -32.29 46.21 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.439 -0.788 . . . . 0.0 111.401 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 125.42 12.2 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 124.277 1.989 . . . . 0.0 112.914 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.806 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 33.6 tp10 . . . . . 0 C--N 1.277 -2.571 0 CA-C-N 111.192 -2.731 . . . . 0.0 110.173 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 59.0 mp0 -61.35 -36.93 81.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.517 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 6' ' ' GLU . 79.5 mm-40 -60.26 -79.14 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.8 mt -37.85 -36.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.409 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -64.68 -47.51 78.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.881 0.372 . . . . 0.0 110.226 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 3' ' ' GLU . 80.4 tt0 -67.21 -36.65 82.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.314 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.436 HG11 HD11 ' A' ' 58' ' ' LEU . 72.7 t -63.91 -42.41 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.354 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 4' ' ' LEU . 71.1 t -60.4 -45.19 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.959 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.05 -42.02 89.27 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.65 -41.91 97.54 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.88 -43.16 99.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.252 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.32 -43.96 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.792 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.566 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 87.1 mt -63.73 -44.39 98.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.496 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 50.5 t-20 -60.95 -45.94 92.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.856 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 t -60.78 -43.59 97.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.01 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.85 97.64 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.06 -44.21 96.45 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.35 -49.12 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.863 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.37 -45.44 93.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.57 -45.22 81.43 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.66 -41.7 97.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.71 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.66 -48.0 80.73 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -60.47 -41.16 93.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.551 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.11 -42.22 94.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.758 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.6 85.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.702 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.6 -44.97 96.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.447 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.4 -41.52 72.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.99 -41.1 95.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.816 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.48 94.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.743 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.15 -30.24 70.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.137 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -79.43 -4.61 51.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.474 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.86 13.09 75.9 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.95 80.8 3.02 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.776 0.322 . . . . 0.0 110.255 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -64.95 -34.55 78.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.646 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.88 77.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.978 0.418 . . . . 0.0 110.761 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.37 80.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.374 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.69 77.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.594 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -62.02 -42.36 99.08 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.623 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.95 99.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.775 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -65.43 -41.1 93.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.535 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.482 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 3.2 mmt -62.54 -41.09 98.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.653 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -62.11 -44.18 97.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.95 0.405 . . . . 0.0 110.469 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.17 -41.28 99.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.236 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.2 p -61.58 -45.58 93.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.63 -42.5 97.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.363 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.7 mtp -61.77 -41.95 98.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.51 . . . . 0.0 110.529 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.13 99.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.21 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.99 -39.88 90.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -60.82 -41.58 96.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.197 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.39 -39.91 92.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.016 0.436 . . . . 0.0 110.191 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.496 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.27 -43.33 82.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.501 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -63.09 -38.28 90.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.373 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.7 mt -61.15 -43.36 99.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.328 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.87 -43.44 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.0 110.04 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.43 -42.1 95.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.215 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.2 m -57.0 -43.48 81.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.972 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -60.32 -40.17 89.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 110.527 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.47 ' HB3' HD21 ' A' ' 74' ' ' LEU . 94.9 mt -68.83 -39.08 80.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.737 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.84 -39.52 82.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -84.65 -12.84 53.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.488 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.88 -16.54 44.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -75.11 122.1 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 110.548 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.63 141.61 58.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.545 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.509 ' O ' ' O ' ' A' ' 67' ' ' LYS . . . -87.47 -3.35 81.5 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' A' ' 67' ' ' LYS . 81.1 tt0 -68.72 135.3 51.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 0.0 110.673 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.37 -38.03 0.45 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.509 ' O ' ' O ' ' A' ' 64' ' ' GLY . 99.4 mttt -98.84 143.84 28.72 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.71 0.29 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.19 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.615 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.628 ' HG2' HG13 ' A' ' 70' ' ' VAL . 88.5 tttt -93.41 -99.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.628 HG13 ' HG2' ' A' ' 69' ' ' LYS . 24.0 m -88.4 -148.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.723 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 75' ' ' VAL . 64.9 p -135.0 170.68 15.54 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.1 tp -57.13 -45.25 83.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.522 HG13 HG21 ' A' ' 8' ' ' VAL . 55.4 t -61.78 -45.53 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.898 0.38 . . . . 0.0 110.552 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 58' ' ' LEU . 31.2 mt -61.5 -39.99 92.95 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 71' ' ' SER . 52.6 t -59.66 -47.1 92.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.228 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -59.05 -45.81 89.84 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.269 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.64 99.62 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.655 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.499 ' OE1' ' OE2' ' B' ' 76' ' ' GLU . 85.7 mt-30 -62.56 -39.4 93.53 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.18 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 83' ' ' THR . 44.8 tp -57.87 -47.75 81.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.41 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -67.4 -48.26 67.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.671 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.451 HD21 ' HB1' ' A' ' 51' ' ' ALA . 14.8 mt -61.35 -45.04 96.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.841 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.02 -43.25 99.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.213 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.2 p -63.94 -46.52 84.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.121 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.9 p -62.72 -49.88 73.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.441 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.72 -47.92 81.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.509 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.65 -45.14 95.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.057 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -47.34 85.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.804 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -57.98 -45.88 86.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.133 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.34 -43.43 98.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.074 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.17 -42.94 96.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.0 109.774 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.515 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.7 mt -60.31 -41.8 88.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.371 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.482 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 89.1 m -57.15 -45.56 83.47 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.54 -42.95 98.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.564 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 94' ' ' LEU . 84.4 mt -59.7 -43.27 94.17 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.27 -42.89 95.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.538 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.76 -39.37 88.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 109.709 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.16 -41.7 98.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.861 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -58.14 -40.81 82.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -60.34 -39.08 85.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.17 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.06 -36.19 83.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.183 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 103' ' ' ALA . 86.0 mt -82.39 -8.34 59.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 101' ' ' LEU . 99.1 mttt 38.12 -89.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.529 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.53 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -61.42 -36.75 81.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.2 mm-40 -60.41 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.511 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.663 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.3 mt -38.26 -35.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.526 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -65.11 -47.07 78.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.391 . . . . 0.0 110.355 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.2 tt0 -67.33 -36.74 82.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.212 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.421 HG11 HD11 ' B' ' 58' ' ' LEU . 73.0 t -63.87 -42.64 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.346 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.663 HG23 ' O ' ' B' ' 4' ' ' LEU . 72.6 t -60.2 -44.98 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.883 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -59.36 -42.0 90.57 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.19 97.58 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' ' 11' ' ' LEU . 33.3 mt -62.65 -43.12 99.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.788 0.328 . . . . 0.0 110.361 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.552 ' CD1' ' HZ1' ' A' ' 69' ' ' LYS . 95.2 mt -63.67 -43.82 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.6 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.74 -44.64 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.878 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.491 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 50.3 t-20 -60.79 -46.25 91.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.79 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.8 t -60.31 -43.82 96.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.108 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.95 -43.01 98.08 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.04 -44.42 95.93 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.98 -49.12 77.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.907 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -60.44 -45.54 93.27 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.51 -45.21 81.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.44 -42.18 98.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.618 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.526 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.42 -48.28 79.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.94 -41.41 91.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.737 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.79 93.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.699 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.52 84.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.643 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.456 HD11 ' CE1' ' B' ' 98' ' ' HIS . 57.3 tp -61.71 -44.8 96.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.399 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.5 -41.74 73.49 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.83 -40.81 94.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.941 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.32 95.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.695 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.44 -29.89 70.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.115 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -79.93 -4.48 52.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.352 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.1 12.41 76.64 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.28 80.99 3.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.856 0.36 . . . . 0.0 110.314 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -65.23 -34.22 77.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.584 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.11 76.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.072 0.463 . . . . 0.0 110.818 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.37 80.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.399 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -48.87 77.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.56 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.91 -42.33 98.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.57 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.65 99.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.652 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.62 -40.95 93.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.551 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.481 ' O ' ' OG ' ' B' ' 44' ' ' SER . 3.2 mmt -62.67 -41.27 98.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.583 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.03 -44.28 97.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.457 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.99 -41.6 99.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.325 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.1 p -61.02 -45.98 92.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.5 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.61 -42.65 97.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.277 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.5 mtp -61.27 -42.13 98.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.359 0.599 . . . . 0.0 110.717 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.54 99.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.176 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.53 -40.08 92.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.749 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.57 -41.65 95.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.347 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.53 -39.72 92.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.218 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.491 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.37 -43.74 80.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.438 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.77 -38.27 89.93 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.283 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.15 -43.22 99.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.43 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.12 -43.32 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.001 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -60.49 -42.15 95.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.231 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 89.2 m -56.79 -43.69 81.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.968 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -60.29 -40.05 89.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.91 0.386 . . . . 0.0 110.547 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.493 ' HB3' HD21 ' B' ' 74' ' ' LEU . 95.9 mt -68.95 -39.2 79.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.659 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.74 -39.93 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.739 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -84.28 -12.22 55.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.39 -16.76 42.04 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -75.14 122.03 22.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.476 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.56 142.01 58.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.428 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' B' ' 67' ' ' LYS . . . -87.88 -3.27 80.26 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' B' ' 67' ' ' LYS . 81.0 tt0 -68.84 135.6 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.637 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.15 -37.83 0.42 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' B' ' 65' ' ' GLU . 99.5 mttt -99.05 144.45 28.18 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.644 0.259 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.2 mmm -65.0 -91.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.648 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.578 ' HG2' HG13 ' B' ' 70' ' ' VAL . 88.4 tttt -93.7 -99.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.859 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.578 HG13 ' HG2' ' B' ' 69' ' ' LYS . 24.3 m -86.53 -149.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.846 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.7 p -134.64 171.62 14.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.601 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.25 -44.69 92.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.586 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.516 HG13 HG21 ' B' ' 8' ' ' VAL . 55.9 t -61.39 -44.88 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.646 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' B' ' 58' ' ' LEU . 32.5 mt -61.66 -39.6 91.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 -178.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.5 -47.57 90.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.311 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.499 ' OE2' ' OE1' ' A' ' 78' ' ' GLN . 51.0 tp10 -58.84 -45.84 89.1 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.326 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.26 99.4 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.921 0.391 . . . . 0.0 110.441 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.657 ' NE2' ' OE2' ' C' ' 76' ' ' GLU . 25.7 mt-30 -62.84 -39.07 93.22 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.25 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.512 ' O ' HG23 ' B' ' 83' ' ' THR . 44.3 tp -58.24 -47.54 83.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.407 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.71 -47.99 67.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.761 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.445 HD21 ' HB1' ' B' ' 51' ' ' ALA . 14.6 mt -61.43 -45.14 95.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.04 -43.52 98.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.181 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.512 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.9 p -63.49 -46.94 83.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.172 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 76.8 p -62.3 -49.85 73.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.641 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.59 -48.11 80.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.416 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.48 -45.18 95.35 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.168 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.26 86.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.831 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.12 -45.43 87.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.247 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.94 -43.19 99.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.182 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.31 -42.56 96.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.065 0.459 . . . . 0.0 110.035 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.526 HD12 ' HB1' ' B' ' 22' ' ' ALA . 78.2 mt -60.6 -41.61 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.237 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.454 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 90.0 m -57.38 -45.0 84.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.092 0.472 . . . . 0.0 109.929 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.2 -42.52 96.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.499 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.11 -43.0 95.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.49 -42.78 95.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.517 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.93 -39.44 89.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' B' ' 97' ' ' LEU . 85.0 mt -62.09 -41.62 98.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.766 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.456 ' CE1' HD11 ' B' ' 26' ' ' LEU . 47.2 m170 -58.18 -40.43 81.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.795 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -60.98 -38.55 86.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.15 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.45 -36.29 83.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.247 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' B' ' 103' ' ' ALA . 85.7 mt -82.19 -8.5 59.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.353 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 101' ' ' LEU . 98.9 mttt 38.17 -89.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.611 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ALA . . . . . 0.595 ' N ' ' O ' ' B' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.543 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -61.05 -37.12 81.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.6 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.2 mm-40 -60.14 -79.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.443 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.3 mt -37.96 -36.07 0.18 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.427 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -64.83 -47.46 77.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 0.0 110.371 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' C' ' 3' ' ' GLU . 80.8 tt0 -66.79 -36.98 83.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.286 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.43 HG11 HD11 ' C' ' 58' ' ' LEU . 72.8 t -63.84 -42.29 95.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.407 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' C' ' 4' ' ' LEU . 75.0 t -60.42 -45.01 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.97 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mtp -59.25 -42.3 90.8 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.93 97.94 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' C' ' 11' ' ' LEU . 32.8 mt -62.79 -43.12 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 110.34 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.53 ' CD1' ' HZ1' ' B' ' 69' ' ' LYS . 96.9 mt -63.54 -43.8 98.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.754 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.64 -44.46 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.037 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.484 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 49.7 t-20 -61.1 -45.93 92.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.752 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -60.72 -43.58 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.147 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.16 -43.0 97.77 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -62.88 -44.24 96.63 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.46 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.75 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.58 -45.06 95.35 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -57.0 -44.85 83.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.89 -41.57 98.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.741 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.521 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.71 -47.96 80.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -60.53 -41.37 94.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.506 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.19 93.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.47 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.568 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.456 HD11 ' CE1' ' C' ' 98' ' ' HIS . 56.8 tp -61.68 -44.98 95.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.478 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.12 -42.13 72.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.67 -40.89 93.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.896 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.95 94.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.796 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.73 -29.8 70.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.102 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -79.75 -4.54 52.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.378 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.97 12.81 76.15 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -96.69 80.64 3.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.796 0.331 . . . . 0.0 110.273 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -65.01 -34.52 78.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.489 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.81 77.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.026 0.441 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.8 -35.26 80.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.404 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.81 77.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.436 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -61.76 -42.67 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.583 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.741 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.16 -41.15 94.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.527 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.464 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 3.3 mmt -62.46 -41.23 98.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.607 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.06 -44.47 96.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.437 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.86 -41.15 99.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.323 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.3 p -61.89 -45.24 94.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.537 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.09 -42.4 98.44 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.313 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.58 -42.51 98.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.404 0.621 . . . . 0.0 110.523 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.59 99.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.369 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.86 -39.98 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.769 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.79 -41.41 95.54 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.411 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.41 -40.16 93.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.08 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.484 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.04 -43.93 81.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.395 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.606 ' NE2' ' CB ' ' D' ' 312' ' ' ASN . 84.6 t60 -62.53 -38.3 89.45 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.377 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.41 -43.22 99.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.266 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.02 -43.2 96.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.003 0.43 . . . . 0.0 109.97 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.51 -42.24 95.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.273 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.993 HG21 HG22 ' D' ' 356' ' ' THR . 91.4 m -56.9 -43.43 81.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.126 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -60.42 -39.89 89.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.511 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.489 ' HB3' HD21 ' C' ' 74' ' ' LEU . 95.3 mt -68.84 -39.31 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.801 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.7 -39.96 83.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.569 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 67.3 mm-40 -84.14 -12.24 55.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.475 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.6 -16.35 42.99 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -75.31 122.15 23.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.342 . . . . 0.0 110.484 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.66 141.6 58.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.485 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 64' ' ' GLY . . . . . 0.507 ' O ' ' O ' ' C' ' 67' ' ' LYS . . . -87.3 -3.24 82.15 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 65' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' C' ' 67' ' ' LYS . 81.0 tt0 -68.96 135.37 50.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.728 0.299 . . . . 0.0 110.578 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.11 -37.38 0.42 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.508 ' H ' ' C ' ' C' ' 65' ' ' GLU . 99.5 mttt -99.28 144.16 28.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.618 0.247 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mmm -64.87 -91.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.587 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.577 ' HG2' HG13 ' C' ' 70' ' ' VAL . 88.1 tttt -93.79 -99.8 0.14 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.577 HG13 ' HG2' ' C' ' 69' ' ' LYS . 24.5 m -86.64 -150.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.771 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.419 ' O ' HG23 ' C' ' 75' ' ' VAL . 37.6 p -133.6 173.79 11.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.535 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.34 -45.33 91.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.721 -177.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.526 HG13 HG21 ' C' ' 8' ' ' VAL . 54.1 t -62.35 -45.22 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 130.075 3.35 . . . . 0.0 110.621 -178.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' C' ' 58' ' ' LEU . 38.2 mt -63.44 -39.44 94.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.086 0.469 . . . . 0.0 110.971 177.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 71' ' ' SER . 55.4 t -59.82 -48.2 88.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.244 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.657 ' OE2' ' NE2' ' B' ' 78' ' ' GLN . 50.4 tp10 -58.84 -45.83 89.12 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.34 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.48 99.51 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.83 0.348 . . . . 0.0 110.434 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.77 -39.09 93.09 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.291 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.499 ' O ' HG23 ' C' ' 83' ' ' THR . 44.8 tp -58.25 -47.52 83.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.472 -179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -67.81 -48.21 66.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 81' ' ' LEU . . . . . 0.445 HD21 ' HB1' ' C' ' 51' ' ' ALA . 15.0 mt -60.99 -45.28 95.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.804 -178.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.91 -43.15 99.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.392 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.499 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.9 p -64.28 -46.34 84.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.186 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -62.84 -49.45 74.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.614 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.87 -48.09 80.82 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.496 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.5 -45.35 94.61 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.109 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.29 85.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.979 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.28 -45.4 87.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.234 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.52 -43.6 98.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.155 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.99 -42.78 97.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.175 0.512 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.521 HD12 ' HB1' ' C' ' 22' ' ' ALA . 78.6 mt -60.43 -41.58 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.422 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.464 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 90.6 m -57.36 -44.98 84.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 109.926 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.36 -42.38 96.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.476 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.26 -42.93 96.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.44 -43.0 96.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.528 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.52 -39.7 88.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.706 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' C' ' 97' ' ' LEU . 85.1 mt -61.98 -41.5 98.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.89 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.456 ' CE1' HD11 ' C' ' 26' ' ' LEU . 47.2 m170 -58.08 -40.6 81.47 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.92 -38.73 86.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.07 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.29 -36.22 83.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.207 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 101' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' C' ' 103' ' ' ALA . 85.7 mt -82.41 -8.66 59.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.315 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' C' ' 101' ' ' LEU . 99.0 mttt 38.53 -89.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.494 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 103' ' ' ALA . . . . . 0.595 ' N ' ' O ' ' C' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.511 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.54 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.705 0 CA-C-O 121.8 0.81 . . . . 0.0 108.994 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.459 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.86 143.02 36.54 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.01 156.3 38.56 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.124 -0.985 . . . . 0.0 109.544 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.22 28.54 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.24 19.02 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.986 -1.071 . . . . 0.0 108.441 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.31 19.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.67 136.6 36.97 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.09 0.948 . . . . 0.0 110.197 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.34 24.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.93 -4.26 19.31 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.806 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.83 85.71 Favored Pre-proline 0 N--CA 1.499 2.021 0 O-C-N 119.629 -1.919 . . . . 0.0 110.602 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -45.58 -47.57 13.22 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 124.734 3.622 . . . . 0.0 114.123 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.544 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.5 m-20 -102.13 27.49 6.61 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 116.104 -2.238 . . . . 0.0 108.817 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.96 -142.29 47.47 Favored Glycine 0 N--CA 1.497 2.707 0 C-N-CA 117.692 -2.194 . . . . 0.0 109.548 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.8 tp -90.76 75.97 6.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.921 -1.34 . . . . 0.0 109.533 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -69.74 175.88 3.97 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.941 -1.503 . . . . 0.0 112.155 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 65.1 p -39.07 -65.83 0.34 Allowed 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.446 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 2.0 tmm_? -57.08 -52.27 75.37 Favored Pre-proline 0 N--CA 1.493 1.71 0 C-N-CA 120.166 -0.614 . . . . 0.0 112.491 -177.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.54 -32.17 59.45 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 120.49 0.794 . . . . 0.0 111.524 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.48 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.94 -38.96 87.12 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.513 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.85 -39.74 72.76 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.87 -39.41 94.14 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.955 -1.498 . . . . 0.0 109.539 177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.69 -45.33 93.28 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 122.63 1.205 . . . . 0.0 108.713 -177.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.48 HG23 ' O ' ' D' ' 319' ' ' ALA . 55.0 t -62.6 -42.23 95.16 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.709 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.609 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.3 mttt -63.88 -40.32 96.26 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.271 -0.893 . . . . 0.0 109.793 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.538 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.74 -39.64 80.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.457 -0.777 . . . . 0.0 109.591 177.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.07 91.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.632 -1.292 . . . . 0.0 109.412 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.31 -16.19 43.29 Favored 'General case' 0 N--CA 1.51 2.573 0 O-C-N 121.299 -0.875 . . . . 0.0 113.361 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.62 86.05 Favored Glycine 0 N--CA 1.479 1.536 0 O-C-N 119.875 -1.765 . . . . 0.0 109.269 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.37 32.81 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.25 -1.735 . . . . 0.0 109.99 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.7 p -75.55 -30.11 59.62 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.202 -0.936 . . . . 0.0 112.359 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.82 158.63 10.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 119.838 -1.789 . . . . 0.0 112.79 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.583 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.01 130.2 35.27 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 102.813 -3.032 . . . . 0.0 102.813 171.26 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.65 136.67 60.12 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.381 0 CA-C-O 122.185 0.993 . . . . 0.0 109.299 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -125.04 143.16 51.05 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-O 123.123 1.44 . . . . 0.0 109.934 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.437 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.09 129.92 61.49 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.46 119.57 26.4 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.829 -1.169 . . . . 0.0 108.949 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.57 122.54 39.12 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.588 -0.695 . . . . 0.0 109.879 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.75 38.98 24.46 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.858 -1.151 . . . . 0.0 112.768 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.01 83.57 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 119.928 -1.732 . . . . 0.0 112.511 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.85 136.33 54.52 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 177.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.72 158.56 32.96 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-O 123.744 1.735 . . . . 0.0 112.504 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.38 31.33 Favored 'General case' 0 C--N 1.279 -2.497 0 CA-C-N 112.535 -2.121 . . . . 0.0 108.608 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.63 136.01 48.82 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 173.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.437 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.99 -6.77 47.64 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.702 -1.249 . . . . 0.0 110.707 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.43 12.94 31.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.615 -1.303 . . . . 0.0 109.386 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 89.6 p -133.13 104.16 6.37 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 122.176 0.988 . . . . 0.0 110.087 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.475 HD22 ' CE ' ' A' ' 9' ' ' MET . 60.4 tp -57.21 -37.95 72.99 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.961 178.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -58.81 -51.4 70.15 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.622 -1.298 . . . . 0.0 113.055 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.48 70.56 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 119.583 -1.948 . . . . 0.0 109.179 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.71 -33.77 75.78 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.004 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.553 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 8.5 tp-100 -67.66 -10.44 52.27 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.657 -0.652 . . . . 0.0 109.899 -177.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 40.9 p -89.8 -7.74 53.7 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.091 -1.444 . . . . 0.0 110.939 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 353' ' ' LEU . . . . . 0.503 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 93.4 mt -93.31 159.35 15.3 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.168 -0.958 . . . . 0.0 110.127 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.76 104.81 2.97 Favored Glycine 0 N--CA 1.484 1.9 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.5 mt -119.57 47.42 1.71 Allowed 'General case' 0 C--N 1.31 -1.149 0 O-C-N 120.727 -1.455 . . . . 0.0 107.437 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.862 HG22 HG21 ' C' ' 56' ' ' THR . 7.6 p -81.46 172.55 13.38 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.209 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -60.74 140.9 57.39 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.317 -0.953 . . . . 0.0 109.859 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.18 78.86 Favored Glycine 0 N--CA 1.501 3.024 0 C-N-CA 119.971 -1.109 . . . . 0.0 111.358 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.44 135.88 34.08 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 120.909 -1.347 . . . . 0.0 110.619 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.9 t -96.56 123.7 48.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 176.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.493 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.13 160.08 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 C-N-CA 117.4 -1.72 . . . . 0.0 110.658 178.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.9 128.45 54.93 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 120.509 -1.37 . . . . 0.0 107.603 175.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.87 121.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 176.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.26 50.71 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.44 47.16 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.464 -1.295 . . . . 0.0 109.693 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.54 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.81 6.44 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 118.62 -1.232 . . . . 0.0 108.099 178.148 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.25 40.12 Favored Glycine 0 C--N 1.296 -1.686 0 C-N-CA 118.003 -2.046 . . . . 0.0 110.378 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.52 -40.54 83.18 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 114.416 -0.892 . . . . 0.0 112.156 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.02 36.71 3.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 118.98 -2.325 . . . . 0.0 108.615 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.48 -33.46 65.96 Favored 'General case' 0 N--CA 1.522 3.129 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -173.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.446 ' HG2' ' H ' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.69 27.42 Favored 'General case' 0 N--CA 1.509 2.501 0 O-C-N 119.549 -1.969 . . . . 0.0 110.956 -176.614 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.773 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.72 97.84 Favored 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.49 77.64 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 117.545 -1.662 . . . . 0.0 110.03 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 68.0 t -66.79 -42.26 89.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 122.253 1.025 . . . . 0.0 109.299 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.85 -47.96 76.36 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 122.015 0.912 . . . . 0.0 108.746 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.773 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.76 -38.36 76.73 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.717 -178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.6 mt -75.51 -28.69 59.24 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.342 -1.474 . . . . 0.0 110.909 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.425 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.29 62.73 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.538 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.23 -45.21 84.09 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 118.985 -1.086 . . . . 0.0 110.516 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.493 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.31 -37.45 85.61 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.97 -1.081 . . . . 0.0 111.482 -177.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.75 61.61 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.135 -0.978 . . . . 0.0 110.279 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.9 -32.37 45.75 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.512 -0.743 . . . . 0.0 111.324 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.09 125.49 12.33 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.396 2.046 . . . . 0.0 112.916 178.678 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.806 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.7 mm-40 . . . . . 0 C--N 1.278 -2.543 0 CA-C-N 111.108 -2.769 . . . . 0.0 110.124 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -57.64 -35.55 70.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.501 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.3 mt-10 -59.38 -76.21 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.457 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.616 ' O ' HG23 ' A' ' 8' ' ' VAL . 98.0 mt -37.86 -38.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.386 -179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.84 -47.01 79.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.929 0.395 . . . . 0.0 110.296 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 3' ' ' GLU . 84.1 tt0 -67.66 -36.33 80.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.284 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.413 HG11 HD11 ' A' ' 58' ' ' LEU . 96.6 t -64.19 -41.9 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.404 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.624 HG21 HG13 ' A' ' 73' ' ' VAL . 66.2 t -60.56 -44.28 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.894 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.475 ' CE ' HD22 ' D' ' 347' ' ' LEU . 89.5 mtp -58.88 -41.44 87.11 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.431 ' HA2' ' HZ1' ' D' ' 324' ' ' LYS . . . -64.25 -42.34 97.91 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 11' ' ' LEU . 34.2 mt -62.79 -42.89 99.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.245 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.08 -43.96 99.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.728 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.609 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 90.3 mt -63.44 -44.33 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.948 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -61.39 -46.16 91.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.794 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 t -60.43 -44.22 95.99 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.79 -43.61 97.45 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.05 -44.91 94.53 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.28 -49.74 76.08 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.55 -45.9 92.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.15 -44.51 79.3 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.86 -41.46 97.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.69 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -57.43 -49.23 76.89 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -60.04 -40.79 90.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.634 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.57 97.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.729 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.7 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.651 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.49 -45.21 95.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.44 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.32 -41.46 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.4 -41.64 97.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.8 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.59 94.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.712 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.29 -29.52 69.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.141 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -80.7 -4.59 54.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.436 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.01 13.41 79.39 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.27 81.74 3.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.703 0.287 . . . . 0.0 110.282 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -64.95 -34.71 79.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.661 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.49 82.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.043 0.449 . . . . 0.0 110.73 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.57 81.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.348 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.87 -47.47 80.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.564 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -61.47 -43.7 98.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.623 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.6 99.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.53 -41.09 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.582 ' O ' ' NH2' ' A' ' 88' ' ' ARG . 90.9 mtp -62.08 -42.23 98.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.633 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.25 -44.39 97.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.955 0.407 . . . . 0.0 110.544 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.72 -42.48 95.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -60.3 -47.7 84.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.55 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -59.83 -42.89 94.56 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.332 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.5 mtp -61.48 -42.12 98.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.207 0.527 . . . . 0.0 110.532 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.22 97.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.214 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' A' ' 18' ' ' ALA . 88.6 mt -65.15 -39.93 93.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.69 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.08 -41.41 96.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.26 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -64.63 -39.98 94.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.034 0.445 . . . . 0.0 110.217 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.03 74.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.84 -39.02 87.5 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 53' ' ' LEU . 37.6 mt -60.54 -43.94 96.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.292 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.61 -43.48 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.073 0.463 . . . . 0.0 110.02 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -59.84 -43.41 94.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.227 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 m -56.45 -42.88 78.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.003 0.43 . . . . 0.0 110.022 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.57 -40.5 94.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.511 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.413 HD11 HG11 ' A' ' 7' ' ' VAL . 97.7 mt -68.37 -39.75 81.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.733 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.07 -40.02 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -83.32 -13.16 55.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.486 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.05 -18.19 37.84 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 68.1 t0 -97.32 -31.73 12.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.674 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.66 136.78 53.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.506 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.34 -165.09 11.36 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -88.76 113.23 24.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.363 . . . . 0.0 110.738 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.01 0.18 75.06 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.24 152.25 19.61 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.669 0.271 . . . . 0.0 110.457 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.2 mmm -69.29 137.33 52.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -93.14 -1.45 56.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 70' ' ' VAL . 30.3 m -106.4 123.4 61.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.698 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.653 ' O ' HG23 ' A' ' 75' ' ' VAL . 86.0 p -131.13 165.25 23.71 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.61 HD13 ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -56.99 -48.36 78.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.638 -179.503 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.624 HG13 HG21 ' A' ' 8' ' ' VAL . 53.7 t -63.08 -47.13 94.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.542 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.58 -40.38 96.7 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 71' ' ' SER . 54.5 t -59.15 -47.53 89.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.189 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -59.35 -45.27 91.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.324 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.91 93.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.07 -39.36 94.49 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.125 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.514 HD21 ' SD ' ' C' ' 82' ' ' MET . 35.1 tp -56.49 -48.34 77.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.427 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -67.62 -46.95 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.727 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.42 -47.45 84.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.885 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.23 -44.71 95.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.175 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.9 p -62.63 -45.37 93.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.118 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.8 p -62.34 -47.24 85.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.511 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.529 ' SD ' ' C ' ' A' ' 85' ' ' MET . 16.3 tmm? -59.05 -47.77 84.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.556 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.21 -45.36 94.9 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.102 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.05 91.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.89 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.582 ' NH2' ' O ' ' A' ' 41' ' ' MET . 15.2 tpt85 -61.67 -45.26 94.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.136 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.85 -47.56 85.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.09 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.81 -40.44 95.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.225 0.536 . . . . 0.0 109.869 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.495 HD13 ' HB1' ' A' ' 22' ' ' ALA . 33.6 mt -60.7 -41.98 90.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.5 m -57.47 -46.05 84.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.005 0.431 . . . . 0.0 109.849 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' CD ' ' CD2' ' B' ' 26' ' ' LEU . 99.1 mt-10 -62.51 -42.8 99.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.636 179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.543 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.7 mt -60.06 -43.63 95.27 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.28 -43.16 96.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.508 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -60.11 -39.51 86.48 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.819 HD21 ' NE2' ' B' ' 98' ' ' HIS . 39.4 mt -62.19 -42.15 99.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.856 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.697 ' NE2' HD21 ' C' ' 97' ' ' LEU . 70.6 m80 -59.93 -40.88 90.44 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -64.36 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.189 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.25 -39.99 94.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.211 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.91 -40.62 96.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.354 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -87.65 -7.13 57.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.455 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.537 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -58.09 -35.58 71.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.0 mt-10 -59.22 -76.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.601 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.4 mt -37.98 -38.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.474 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.0 -46.89 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.39 . . . . 0.0 110.333 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.0 tt0 -67.67 -36.23 80.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.183 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.419 HG11 HD11 ' B' ' 58' ' ' LEU . 96.3 t -64.2 -42.35 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.603 HG21 HG13 ' B' ' 73' ' ' VAL . 68.3 t -60.24 -44.06 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.884 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -59.18 -41.42 88.45 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.55 -42.21 97.54 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -62.59 -42.78 99.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.752 0.31 . . . . 0.0 110.361 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.48 -44.09 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.666 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.07 -44.41 99.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.972 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -61.25 -46.13 91.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.873 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.5 t -60.49 -44.31 96.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.129 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.71 -43.09 98.33 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.2 -45.45 91.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.449 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.88 -49.53 76.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.906 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.67 -45.75 92.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.24 -44.33 79.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.06 -41.59 98.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.667 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.508 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -57.53 -48.93 77.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -60.33 -40.78 91.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.647 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -43.73 96.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.718 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.84 84.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.605 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.427 ' CD2' ' CD ' ' A' ' 93' ' ' GLU . 58.2 tp -61.51 -45.14 95.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.287 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.37 -41.56 72.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.17 -41.54 96.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.864 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.39 96.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.684 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.27 -29.54 69.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.091 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.83 -4.43 54.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.376 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.88 13.37 79.7 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.31 81.49 3.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.75 0.309 . . . . 0.0 110.287 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -64.8 -34.83 79.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.526 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.66 81.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.33 80.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.466 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.11 78.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.509 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.89 -43.95 97.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.593 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.69 99.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.684 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.72 -40.73 92.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.592 ' O ' ' NH2' ' B' ' 88' ' ' ARG . 90.8 mtp -62.19 -42.42 99.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.99 -44.68 97.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.504 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.41 -42.51 96.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.1 m -60.48 -47.77 84.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.544 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -59.5 -43.04 93.45 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.26 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.6 mtp -61.35 -42.27 98.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.282 0.563 . . . . 0.0 110.619 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.93 97.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.449 HD21 ' CB ' ' B' ' 18' ' ' ALA . 87.7 mt -65.55 -39.66 91.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.695 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.3 -40.94 96.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.326 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -65.15 -39.5 93.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.177 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.9 73.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.405 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -60.89 -39.24 88.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.266 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.27 -44.21 95.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.324 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.56 -43.12 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.078 0.466 . . . . 0.0 110.003 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -60.3 -43.28 96.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.26 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -56.48 -42.96 79.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.923 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.4 -40.68 95.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.887 0.375 . . . . 0.0 110.523 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.419 HD11 HG11 ' B' ' 7' ' ' VAL . 97.8 mt -68.29 -39.74 82.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.13 -40.07 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.757 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -83.47 -12.77 55.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.556 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.05 -18.73 35.92 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.477 ' OD1' ' O ' ' B' ' 62' ' ' ASP . 68.1 t0 -97.13 -31.48 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.55 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.91 136.51 52.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.434 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.79 -164.97 11.41 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -89.11 113.37 24.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.343 . . . . 0.0 110.572 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.05 0.01 74.7 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -98.05 152.82 18.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.645 0.259 . . . . 0.0 110.521 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 99.1 mmm -70.12 138.09 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -93.73 -0.74 55.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 70' ' ' VAL . 27.1 m -108.08 123.48 63.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.684 ' O ' HG23 ' B' ' 75' ' ' VAL . 97.1 p -131.04 166.86 20.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.521 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.608 ' O ' HD13 ' B' ' 72' ' ' LEU . 0.2 OUTLIER -58.78 -48.73 80.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.571 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.603 HG13 HG21 ' B' ' 8' ' ' VAL . 52.5 t -62.09 -46.72 95.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.654 -178.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.52 -40.31 96.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.046 0.45 . . . . 0.0 110.949 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 71' ' ' SER . 54.8 t -59.27 -47.58 89.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.254 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' B' ' 80' ' ' HIS . 15.6 tm-20 -59.5 -44.98 92.97 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.325 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.92 94.05 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.862 0.363 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.35 -39.03 93.43 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.166 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 83' ' ' THR . 34.5 tp -56.72 -48.06 78.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.413 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.601 ' CE1' ' OE2' ' B' ' 76' ' ' GLU . 63.4 m80 -67.96 -46.63 70.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.753 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.56 -47.27 84.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.49 -44.78 95.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.205 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.511 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.0 p -62.57 -45.31 93.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.197 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 79.0 p -62.27 -47.31 84.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.601 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.53 ' C ' ' SD ' ' B' ' 85' ' ' MET . 16.3 tmm? -59.13 -47.87 83.7 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.532 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.95 -45.42 94.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.147 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.72 88.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.938 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.592 ' NH2' ' O ' ' B' ' 41' ' ' MET . 15.1 tpt85 -61.07 -44.95 96.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.233 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.24 -47.63 85.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.189 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 90' ' ' LEU . 92.6 mt -64.69 -40.38 95.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.176 0.513 . . . . 0.0 110.051 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.508 HD13 ' HB1' ' B' ' 22' ' ' ALA . 33.7 mt -60.49 -42.04 89.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.192 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 72.4 m -57.67 -45.65 85.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.088 0.47 . . . . 0.0 109.868 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.435 ' CD ' ' CD2' ' C' ' 26' ' ' LEU . 98.7 mt-10 -62.95 -42.36 99.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.491 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.54 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.6 mt -60.6 -43.34 97.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.451 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.44 -43.09 96.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.461 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.22 -39.24 85.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.737 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.814 HD21 ' NE2' ' C' ' 98' ' ' HIS . 37.6 mt -62.77 -41.75 99.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.772 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.819 ' NE2' HD21 ' A' ' 97' ' ' LEU . 71.0 m80 -60.28 -40.88 91.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -64.38 -38.4 90.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.133 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -62.29 -39.92 94.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.166 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.63 -41.02 98.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -87.38 -7.12 58.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.572 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.489 -179.863 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -58.02 -35.54 71.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' C' ' 6' ' ' GLU . 96.9 mt-10 -59.47 -76.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.386 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.613 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.6 mt -37.79 -38.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.385 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.0 -47.12 78.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.377 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.4 tt0 -67.22 -36.18 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.282 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.53 -41.56 92.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.613 HG23 ' O ' ' C' ' 4' ' ' LEU . 67.4 t -60.87 -44.16 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.996 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mtp -59.13 -41.26 87.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.19 -42.63 97.89 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.63 -42.61 99.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.353 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.47 -44.0 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.731 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.35 -44.0 98.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.124 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -61.67 -45.93 91.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.824 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.66 -44.23 96.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.158 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.62 -43.58 97.74 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.1 -44.7 94.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.46 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.31 -50.11 74.77 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.45 -45.53 93.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.39 -44.46 80.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.89 -41.37 97.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.722 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.509 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -57.55 -48.96 77.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -60.23 -40.81 91.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.528 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.2 99.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.705 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.82 86.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.621 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.435 ' CD2' ' CD ' ' B' ' 93' ' ' GLU . 58.0 tp -61.72 -44.63 96.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.443 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -55.89 -41.24 74.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.546 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.6 -40.88 96.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.919 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.13 96.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.825 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.98 -29.11 70.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.062 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.87 -4.44 54.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.481 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.87 13.41 79.62 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -95.35 81.5 3.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.755 0.312 . . . . 0.0 110.238 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -64.88 -35.04 79.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.459 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.98 81.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.65 81.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.38 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.15 78.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.45 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -60.88 -43.79 97.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.559 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.09 99.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.37 -40.58 93.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.513 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.588 ' O ' ' NH2' ' C' ' 88' ' ' ARG . 91.2 mtp -62.46 -42.35 99.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.591 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.21 -44.44 97.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.448 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.75 -42.33 95.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.343 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -60.65 -47.51 85.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -59.71 -43.16 94.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.383 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.13 -41.92 97.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.313 0.577 . . . . 0.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.31 96.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.319 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' C' ' 18' ' ' ALA . 88.2 mt -65.23 -40.1 93.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.742 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.79 -41.34 95.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.356 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.8 -40.25 94.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.074 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.1 -45.98 75.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.423 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.544 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.7 t-80 -60.95 -38.96 87.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.357 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 mt -60.78 -43.51 97.99 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.338 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.86 -43.24 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.415 . . . . 0.0 109.922 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -60.29 -43.25 96.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.157 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.862 HG21 HG22 ' D' ' 356' ' ' THR . 17.5 m -56.54 -42.92 79.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.953 0.406 . . . . 0.0 110.183 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.55 -40.27 94.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.546 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' C' ' 58' ' ' LEU . 97.8 mt -68.38 -39.65 81.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.37 -39.85 79.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.79 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.553 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 71.9 mm-40 -83.52 -12.79 55.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.426 -179.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.31 -18.31 36.68 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 68.2 t0 -97.3 -31.88 12.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.755 0.312 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.69 136.61 53.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.475 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.98 -164.76 11.33 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -88.89 113.44 24.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.709 0.29 . . . . 0.0 110.648 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.04 -0.12 74.13 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -97.91 152.67 18.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.577 0.227 . . . . 0.0 110.597 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 99.1 mmm -70.01 138.38 52.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.501 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -94.02 -0.75 55.3 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.79 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.471 ' O ' HG23 ' C' ' 70' ' ' VAL . 27.1 m -107.68 123.16 62.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.793 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.69 ' O ' HG23 ' C' ' 75' ' ' VAL . 93.3 p -130.28 168.7 16.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.501 -178.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.685 HD13 ' O ' ' C' ' 72' ' ' LEU . 0.3 OUTLIER -58.79 -49.1 78.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.671 -177.503 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.555 HG13 HG21 ' C' ' 8' ' ' VAL . 50.3 t -62.81 -47.12 94.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 130.084 3.354 . . . . 0.0 110.571 -177.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.47 -39.98 94.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.058 0.456 . . . . 0.0 110.989 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.69 HG23 ' O ' ' C' ' 71' ' ' SER . 53.6 t -59.68 -48.18 88.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.215 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.579 ' OE2' ' CE1' ' C' ' 80' ' ' HIS . 15.4 tm-20 -59.32 -45.23 91.91 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.303 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.84 -44.38 93.35 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.925 0.393 . . . . 0.0 110.506 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -62.94 -39.21 93.93 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.259 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.5 ' O ' HG23 ' C' ' 83' ' ' THR . 34.0 tp -56.52 -48.15 77.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.467 -179.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 80' ' ' HIS . . . . . 0.579 ' CE1' ' OE2' ' C' ' 76' ' ' GLU . 62.5 m80 -67.97 -46.59 70.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.7 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.59 -47.38 84.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.871 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 82' ' ' MET . . . . . 0.514 ' SD ' HD21 ' A' ' 79' ' ' LEU . 94.0 mtp -62.36 -44.65 95.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.344 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.5 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.8 p -62.54 -45.84 91.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.18 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -61.8 -47.52 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.571 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 85' ' ' MET . . . . . 0.528 ' SD ' ' C ' ' C' ' 85' ' ' MET . 16.4 tmm? -58.76 -48.11 82.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.468 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.01 -45.27 95.51 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.094 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.47 89.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.001 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.588 ' NH2' ' O ' ' C' ' 41' ' ' MET . 15.3 tpt85 -61.5 -45.08 95.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.215 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.8 -47.82 84.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 110.149 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.73 -40.76 95.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.195 0.521 . . . . 0.0 110.037 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.509 HD13 ' HB1' ' C' ' 22' ' ' ALA . 33.3 mt -60.16 -41.9 88.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.418 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 69.7 m -57.72 -45.56 85.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.09 0.472 . . . . 0.0 109.938 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.12 -42.17 99.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.484 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.8 mt -60.63 -43.36 97.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.52 -43.11 96.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.553 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -60.0 -39.57 86.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.738 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.697 HD21 ' NE2' ' A' ' 98' ' ' HIS . 38.5 mt -62.23 -42.02 98.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.902 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.814 ' NE2' HD21 ' B' ' 97' ' ' LEU . 70.8 m80 -60.13 -40.9 91.39 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -64.39 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.156 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.15 -40.24 95.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.212 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.45 -40.96 98.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.296 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -87.61 -7.1 57.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.498 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.357 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 121.873 0.844 . . . . 0.0 108.923 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.3 t80 -139.84 142.94 36.57 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.31 38.62 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.916 -1.115 . . . . 0.0 109.506 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.11 149.16 28.49 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.33 18.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.035 -1.041 . . . . 0.0 108.365 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.93 144.39 19.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.4 m -96.64 136.55 37.01 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.092 0.949 . . . . 0.0 110.163 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -84.95 114.33 24.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.92 -4.23 19.36 Favored 'General case' 0 C--N 1.265 -3.073 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.806 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.83 85.76 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 119.754 -1.841 . . . . 0.0 110.595 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -45.47 -47.71 12.77 Favored 'Trans proline' 0 C--N 1.312 -1.395 0 C-N-CA 124.746 3.631 . . . . 0.0 114.099 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -102.12 27.57 6.54 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 116.128 -2.229 . . . . 0.0 108.763 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.91 -141.21 47.72 Favored Glycine 0 N--CA 1.497 2.737 0 C-N-CA 117.645 -2.217 . . . . 0.0 109.565 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.6 81.77 3.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.92 -1.341 . . . . 0.0 109.489 -176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -80.33 176.21 9.97 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 117.872 -1.531 . . . . 0.0 112.154 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 74.8 p -34.58 -65.88 0.19 Allowed 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.525 ' NH1' ' C ' ' A' ' 16' ' ' GLY . 4.5 tpt180 -55.73 -56.73 26.71 Favored Pre-proline 0 N--CA 1.493 1.694 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.566 -177.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.1 -32.13 64.29 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.156 1.237 . . . . 0.0 111.578 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.475 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.03 -38.84 86.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.234 -0.916 . . . . 0.0 109.464 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.79 72.57 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -63.94 -39.37 94.0 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 117.975 -1.49 . . . . 0.0 109.453 177.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.76 -45.28 93.41 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 122.586 1.184 . . . . 0.0 108.647 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.475 HG23 ' O ' ' D' ' 319' ' ' ALA . 56.4 t -62.61 -42.22 95.12 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.725 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -63.92 -40.27 96.09 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.74 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.535 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.84 -39.62 79.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.423 -0.798 . . . . 0.0 109.569 178.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.92 91.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.603 -1.31 . . . . 0.0 109.446 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.38 -16.29 44.91 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.85 -10.56 86.04 Favored Glycine 0 N--CA 1.48 1.581 0 O-C-N 119.93 -1.731 . . . . 0.0 109.308 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.404 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.48 143.38 32.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.32 -1.694 . . . . 0.0 110.039 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.6 -30.13 59.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.178 -0.951 . . . . 0.0 112.339 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.71 158.54 10.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 119.808 -1.807 . . . . 0.0 112.78 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.58 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.2 35.37 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 102.858 -3.016 . . . . 0.0 102.858 171.219 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.62 136.59 60.36 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.393 0 CA-C-O 122.254 1.026 . . . . 0.0 109.309 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.4 m -124.91 143.16 51.01 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 123.056 1.407 . . . . 0.0 110.009 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.8 t -108.02 129.9 61.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 173.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.9 m -127.41 119.55 26.43 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.9 -1.125 . . . . 0.0 108.988 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.54 39.13 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.548 -0.72 . . . . 0.0 109.912 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.83 38.97 24.7 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.895 -1.128 . . . . 0.0 112.745 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.01 83.62 Favored Glycine 0 N--CA 1.501 2.994 0 O-C-N 119.878 -1.764 . . . . 0.0 112.532 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.87 136.31 54.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 177.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.9 m -124.86 158.61 33.02 Favored 'General case' 0 C--N 1.276 -2.609 0 CA-C-O 123.761 1.743 . . . . 0.0 112.425 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.35 31.31 Favored 'General case' 0 C--N 1.279 -2.489 0 CA-C-N 112.462 -2.154 . . . . 0.0 108.597 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.58 135.98 48.89 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 173.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.96 -6.73 47.26 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.656 -1.278 . . . . 0.0 110.736 179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.54 13.01 31.47 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.657 -1.277 . . . . 0.0 109.386 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.3 p -133.03 104.11 6.37 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.108 0.956 . . . . 0.0 110.188 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.7 tp -57.21 -37.91 72.92 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.971 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 348' ' ' PHE . . . . . 0.404 ' CZ ' ' OE2' ' A' ' 5' ' ' GLU . 21.2 m-85 -58.91 -51.36 70.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.652 -1.28 . . . . 0.0 113.094 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.04 -32.44 70.57 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 119.572 -1.955 . . . . 0.0 109.256 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.8 -33.75 75.85 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 118.981 -1.088 . . . . 0.0 109.945 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.505 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 67.7 tp60 -67.63 -10.36 51.48 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.659 -0.651 . . . . 0.0 110.015 -177.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 352' ' ' THR . . . . . 0.472 ' C ' ' OE1' ' C' ' 60' ' ' GLU . 33.6 p -89.83 -7.8 53.48 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 118.183 -1.407 . . . . 0.0 110.875 -178.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.33 159.28 15.33 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.181 -0.949 . . . . 0.0 110.2 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 106.894 -2.482 . . . . 0.0 106.894 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.9 mt -119.55 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.215 0 O-C-N 120.632 -1.511 . . . . 0.0 107.352 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 73.3 p -81.5 172.58 13.32 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.219 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -60.68 140.88 57.33 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.845 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.5 -3.26 78.75 Favored Glycine 0 N--CA 1.5 2.906 0 C-N-CA 120.057 -1.068 . . . . 0.0 111.322 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.42 135.93 34.06 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.892 -1.358 . . . . 0.0 110.634 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.7 t -96.52 123.64 48.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.08 160.11 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.305 0 C-N-CA 117.416 -1.714 . . . . 0.0 110.707 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.9 128.36 54.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.502 -1.374 . . . . 0.0 107.547 175.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.2 mt -107.9 121.36 60.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.22 50.69 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.71 153.33 47.21 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 118.582 -1.247 . . . . 0.0 109.801 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.07 110.8 6.46 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 118.556 -1.257 . . . . 0.0 108.057 178.174 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.33 40.17 Favored Glycine 0 C--N 1.295 -1.726 0 C-N-CA 118.025 -2.035 . . . . 0.0 110.358 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.4 -40.6 82.85 Favored 'General case' 0 C--N 1.276 -2.612 0 CA-C-N 114.384 -0.908 . . . . 0.0 112.18 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.09 36.83 3.53 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 115.87 -2.332 . . . . 0.0 108.531 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.3 -33.6 65.71 Favored 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -174.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.475 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.59 27.24 Favored 'General case' 0 N--CA 1.509 2.511 0 O-C-N 119.585 -1.947 . . . . 0.0 110.981 -176.557 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.762 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.74 97.9 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.54 77.5 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.437 -1.705 . . . . 0.0 110.069 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.77 -42.24 89.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 CA-C-O 122.197 0.999 . . . . 0.0 109.291 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.86 -47.93 76.43 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 122.037 0.922 . . . . 0.0 108.734 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.762 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.76 -38.36 76.75 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.732 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.9 mt -75.51 -28.67 59.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.449 -1.407 . . . . 0.0 110.908 -174.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.48 71.27 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.413 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.27 63.01 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.535 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.2 tp -57.21 -45.27 83.96 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.066 -1.054 . . . . 0.0 110.523 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.39 -37.31 85.26 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.893 -1.129 . . . . 0.0 111.518 -177.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.83 61.6 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.039 -1.038 . . . . 0.0 110.223 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.32 45.86 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.554 -0.716 . . . . 0.0 111.35 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.02 125.51 12.27 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 124.315 2.007 . . . . 0.0 112.925 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.806 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 13.9 pt-20 . . . . . 0 C--N 1.277 -2.57 0 CA-C-N 111.128 -2.76 . . . . 0.0 110.128 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -61.64 -36.01 79.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.53 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 4' ' ' LEU . 79.3 mm-40 -60.1 -78.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.43 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.691 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.3 mt -39.13 -36.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.401 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.404 ' OE2' ' CZ ' ' D' ' 348' ' ' PHE . 84.2 tt0 -63.49 -50.08 71.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.922 0.391 . . . . 0.0 110.28 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 3' ' ' GLU . 49.7 tp10 -66.5 -36.78 83.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.334 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.494 HG11 HD11 ' A' ' 58' ' ' LEU . 73.2 t -63.45 -42.71 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.376 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 4' ' ' LEU . 76.3 t -60.34 -45.03 97.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.972 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -59.54 -41.66 90.58 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.36 -42.08 99.25 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.73 -43.26 97.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.26 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.16 -44.29 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.8 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.92 -44.23 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.985 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 47.0 t-20 -61.65 -45.47 93.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.811 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.4 p -60.03 -44.12 94.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.98 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.525 ' C ' ' NH1' ' D' ' 317' ' ' ARG . . . -63.91 -42.23 98.43 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.4 -43.38 97.71 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.492 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.38 -49.1 78.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.839 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.53 -45.77 92.61 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.7 m -55.0 -43.76 73.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.41 -41.03 98.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.65 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.16 -47.79 82.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.27 -41.88 89.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.63 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.13 91.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.698 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.71 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.683 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.78 -45.68 92.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.391 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -54.27 -43.59 71.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.84 -41.48 87.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.846 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.424 ' O ' ' OXT' ' A' ' 103' ' ' ALA . . . -59.61 -43.79 93.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.779 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.85 -30.93 70.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.094 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -82.54 -5.0 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.465 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.64 15.26 78.33 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -96.56 81.47 3.22 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.763 0.316 . . . . 0.0 110.275 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -65.07 -33.6 76.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.653 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.39 79.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 110.741 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.25 80.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.319 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.84 82.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.584 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.53 -42.61 99.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.6 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.92 99.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.796 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.7 mtt -66.08 -41.8 90.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.463 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.452 ' O ' ' OG ' ' A' ' 44' ' ' SER . 72.3 mtm -63.77 -41.85 97.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.645 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.53 -45.18 94.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 110.578 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.84 -41.18 97.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.166 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 41' ' ' MET . 77.5 p -61.15 -46.0 92.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HE ' ' NH2' ' A' ' 88' ' ' ARG . 42.2 ttm180 -59.89 -42.67 94.34 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.3 ttp -60.17 -43.55 95.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.185 0.516 . . . . 0.0 110.639 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.21 -41.77 99.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.174 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.492 HD21 ' CB ' ' A' ' 18' ' ' ALA . 94.9 mt -65.24 -40.27 93.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.684 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.2 -41.34 96.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.269 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.86 -39.76 94.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.217 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.528 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.49 -45.33 79.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.41 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -62.43 -38.52 90.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.419 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.59 -43.07 99.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.305 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.48 -43.5 94.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.449 . . . . 0.0 110.05 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.526 ' OE1' ' CD1' ' A' ' 59' ' ' ILE . 1.1 tm0? -61.06 -42.36 98.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.297 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 m -56.21 -44.36 79.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.021 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -61.39 -37.36 83.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.497 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.494 HD11 HG11 ' A' ' 7' ' ' VAL . 96.5 mt -64.75 -28.32 69.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.689 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.526 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 96.0 mt -89.93 -33.03 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' O ' ' A' ' 61' ' ' GLY . 77.5 mm-40 -72.93 -31.63 64.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.597 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 60' ' ' GLU . . . 33.96 96.84 0.01 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -58.89 -44.79 91.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.27 144.63 51.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.63 -79.47 0.66 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.27 133.33 50.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.709 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.29 -21.16 44.15 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -103.01 105.02 15.25 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.692 0.282 . . . . 0.0 110.48 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -93.83 145.22 24.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.628 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.61 -80.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t -97.58 115.91 38.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.695 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 p -128.31 161.76 28.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.52 -43.77 80.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.676 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.593 HG13 HG21 ' A' ' 8' ' ' VAL . 53.2 t -63.06 -44.12 99.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.903 0.382 . . . . 0.0 110.579 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.98 -41.66 98.28 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.975 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.7 -46.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.191 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -58.2 -46.62 85.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.791 0.329 . . . . 0.0 110.248 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.07 98.27 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.638 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.647 ' NE2' ' OE2' ' B' ' 76' ' ' GLU . 25.4 mt-30 -63.22 -40.04 96.34 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.196 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 83' ' ' THR . 46.4 tp -57.69 -46.57 84.14 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.444 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -67.82 -47.75 68.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.727 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.57 -46.0 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.805 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -63.0 -44.09 96.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.155 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.6 p -63.6 -48.22 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.049 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.9 t -61.73 -48.55 80.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.443 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.2 ttp -57.93 -48.24 80.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.512 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' B' ' 87' ' ' ALA . 8.8 tp -61.95 -45.25 94.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.876 0.369 . . . . 0.0 110.087 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.37 -47.54 85.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.811 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.411 ' NH2' ' HE ' ' A' ' 45' ' ' ARG . 3.3 tmt_? -58.85 -45.02 91.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.112 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.73 -44.26 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.109 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.0 mt -64.75 -43.99 91.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.168 0.508 . . . . 0.0 109.895 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.09 -42.01 91.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.306 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.424 HG23 ' SD ' ' A' ' 41' ' ' MET . 86.9 m -57.56 -45.77 84.73 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.639 -0.425 . . . . 0.0 109.869 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.438 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.2 mt-10 -62.81 -41.85 99.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.545 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.436 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 16.6 mt -60.32 -42.02 94.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.21 -42.84 94.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.516 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.583 ' OE2' ' NZ ' ' B' ' 30' ' ' LYS . 84.5 tt0 -60.65 -38.83 86.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.735 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 97' ' ' LEU . 39.0 mt -61.9 -41.09 97.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.888 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.6 m80 -59.67 -40.32 87.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.68 -41.44 81.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.201 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -62.71 -33.6 75.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.275 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.6 mt -82.15 -9.86 59.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.406 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.4 tttp 72.63 15.04 5.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.424 ' OXT' ' O ' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.218 -0.599 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.568 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' B' ' 3' ' ' GLU . 22.5 pt-20 -61.58 -36.66 81.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.0 mm-40 -59.37 -78.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.395 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.692 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.5 mt -39.02 -36.63 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.486 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.57 -50.0 71.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.982 0.42 . . . . 0.0 110.402 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' B' ' 3' ' ' GLU . 48.9 tp10 -66.33 -36.87 84.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.226 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.476 HG11 HD11 ' B' ' 58' ' ' LEU . 71.0 t -63.55 -42.22 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.362 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.692 HG23 ' O ' ' B' ' 4' ' ' LEU . 75.5 t -60.88 -45.03 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.914 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.7 mtp -59.34 -41.8 90.02 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.49 -42.16 99.05 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 11' ' ' LEU . 85.9 mt -63.58 -43.05 98.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.798 0.333 . . . . 0.0 110.344 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.44 -44.51 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.722 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.54 -44.54 98.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.912 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.536 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 48.3 t-20 -61.41 -45.55 93.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.881 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -59.93 -43.9 94.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.135 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.22 -41.99 98.1 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.5 -43.34 97.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.479 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.34 -49.17 78.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.922 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.59 -45.51 93.69 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.6 m -55.15 -43.89 74.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.97 -41.73 98.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.793 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.76 81.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -59.3 -41.56 89.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.68 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.84 91.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.639 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.8 91.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.696 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.72 -45.83 92.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.328 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.2 -43.61 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.75 -41.34 86.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.903 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.44 ' O ' ' OXT' ' B' ' 103' ' ' ALA . . . -59.82 -43.88 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.698 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.583 ' NZ ' ' OE2' ' A' ' 96' ' ' GLU . 67.9 mttm -60.7 -31.0 70.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.05 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -82.44 -5.2 58.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.419 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.48 15.56 77.88 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -96.37 80.74 3.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.774 0.321 . . . . 0.0 110.34 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -64.55 -33.63 76.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.587 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.46 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.012 0.434 . . . . 0.0 110.737 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.03 79.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.442 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.83 82.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.577 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.52 -42.51 98.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.574 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.41 98.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.683 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.68 -41.54 92.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.516 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.46 ' O ' ' OG ' ' B' ' 44' ' ' SER . 72.6 mtm -63.95 -42.16 97.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.558 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.16 -45.36 93.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.458 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.79 -40.88 97.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.333 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.3 p -61.44 -46.09 91.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.49 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.43 ' HE ' ' NH2' ' B' ' 88' ' ' ARG . 42.2 ttm180 -59.83 -42.74 94.21 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 64.8 ttp -60.03 -44.03 94.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.277 0.561 . . . . 0.0 110.675 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.98 99.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.182 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' B' ' 18' ' ' ALA . 94.1 mt -64.97 -40.25 94.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.757 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.3 -41.45 96.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.38 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.77 -39.57 93.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.194 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.536 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.6 -45.31 79.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.415 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -62.54 -38.58 90.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.293 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' B' ' 53' ' ' LEU . 39.6 mt -61.41 -43.32 99.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.317 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -65.0 -44.03 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.141 0.496 . . . . 0.0 110.038 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.535 ' OE1' ' CD1' ' B' ' 59' ' ' ILE . 1.1 tm0? -60.75 -42.34 97.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.204 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -56.45 -44.11 80.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.947 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.4 -37.35 83.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.915 0.388 . . . . 0.0 110.527 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.476 HD11 HG11 ' B' ' 7' ' ' VAL . 96.3 mt -64.84 -28.27 69.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.692 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.535 ' CD1' ' OE1' ' B' ' 55' ' ' GLN . 96.2 mt -89.97 -32.92 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.73 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.504 ' O ' ' O ' ' B' ' 61' ' ' GLY . 77.3 mm-40 -73.38 -31.48 63.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' B' ' 60' ' ' GLU . . . 33.84 97.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.4 -44.43 92.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.573 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.52 144.04 51.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.471 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.87 -79.93 0.6 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -66.14 133.49 50.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 0.0 110.658 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.5 -21.39 42.86 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -102.75 105.91 16.43 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.637 0.256 . . . . 0.0 110.496 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -94.54 146.04 24.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.47 -80.66 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.82 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.7 t -98.42 116.01 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.755 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 13.3 p -127.94 164.33 22.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.5 -178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.72 -43.05 94.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.561 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.577 HG13 HG21 ' B' ' 8' ' ' VAL . 54.9 t -63.01 -43.39 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.561 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.21 -41.16 98.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.037 0.446 . . . . 0.0 110.945 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -60.06 -46.77 93.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.298 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.647 ' OE2' ' NE2' ' A' ' 78' ' ' GLN . 44.8 tp10 -58.29 -46.17 86.6 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.299 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.19 97.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.895 0.378 . . . . 0.0 110.433 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' GLN . . . . . 0.655 ' NE2' ' OE2' ' C' ' 76' ' ' GLU . 25.3 mt-30 -63.11 -39.6 95.16 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.187 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.512 ' O ' HG23 ' B' ' 83' ' ' THR . 43.6 tp -58.13 -46.73 85.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.381 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -67.65 -47.92 68.19 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.796 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.23 -46.44 90.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.39 -44.34 96.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.256 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.512 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.6 p -63.62 -47.79 79.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.127 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -61.76 -48.56 80.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -58.17 -48.54 79.96 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.458 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' C' ' 87' ' ' ALA . 8.8 tp -61.63 -45.34 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.096 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -59.07 -47.93 83.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.905 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.43 ' NH2' ' HE ' ' B' ' 45' ' ' ARG . 3.2 tmt_? -58.36 -45.32 88.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.245 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.69 -44.13 97.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.117 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.85 -43.77 91.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.062 0.458 . . . . 0.0 109.994 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.1 -42.29 92.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.197 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.42 HG23 ' SD ' ' B' ' 41' ' ' MET . 90.1 m -57.3 -45.6 83.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.018 0.437 . . . . 0.0 109.835 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.441 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.3 mt-10 -63.16 -41.73 99.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.495 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.472 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 16.4 mt -60.33 -42.08 94.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.08 -42.91 95.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.52 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.543 ' OE2' ' NZ ' ' C' ' 30' ' ' LYS . 84.5 tt0 -60.62 -38.87 86.19 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.96 -41.08 97.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.861 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.4 m80 -59.65 -39.8 85.58 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.15 -41.66 84.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.097 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -62.87 -33.4 75.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.224 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.403 HD21 HD21 ' C' ' 101' ' ' LEU . 84.2 mt -81.89 -10.46 59.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.409 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 38.5 tttp 72.74 15.54 4.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ALA . . . . . 0.44 ' OXT' ' O ' ' B' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.898 -1.048 . . . . 0.0 110.59 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -62.02 -36.11 80.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.612 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.5 mm-40 -59.74 -78.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.314 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.703 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.5 mt -39.21 -36.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.439 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.48 -49.63 72.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.407 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' C' ' 3' ' ' GLU . 48.3 tp10 -66.88 -36.44 82.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.348 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.471 HG11 HD11 ' C' ' 58' ' ' LEU . 71.7 t -63.65 -42.26 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.364 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.703 HG23 ' O ' ' C' ' 4' ' ' LEU . 75.1 t -60.87 -45.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.986 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.13 -41.89 89.33 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.18 99.21 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.41 -43.08 98.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.41 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.47 -44.53 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.674 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.5 -44.38 98.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.083 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.532 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 47.6 t-20 -61.37 -45.8 92.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.826 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 79.6 p -59.79 -43.92 94.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.156 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.09 -42.08 98.23 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.63 -43.45 96.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.479 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.18 -49.07 78.31 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.9 -45.48 94.44 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 65.5 m -55.09 -44.18 74.62 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.58 -41.62 97.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.741 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.62 82.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.37 -41.72 89.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.428 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.29 90.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.47 93.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.59 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.89 -45.79 92.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.389 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -54.26 -43.65 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -58.79 -41.07 85.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.882 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.424 ' O ' ' OXT' ' C' ' 103' ' ' ALA . . . -59.98 -44.0 94.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.808 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OE2' ' B' ' 96' ' ' GLU . 68.0 mttm -60.7 -30.84 70.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.998 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -82.32 -5.2 58.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.487 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.62 15.48 77.86 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -96.53 80.78 3.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.781 0.324 . . . . 0.0 110.316 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -64.48 -33.79 76.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.537 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.34 -48.18 80.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.67 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.16 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.403 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -47.83 82.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.512 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.45 -42.76 99.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.629 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.0 99.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.94 -41.93 90.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.559 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.464 ' O ' ' OG ' ' C' ' 44' ' ' SER . 73.1 mtm -63.73 -41.94 97.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.603 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.25 -45.68 92.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.48 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.56 -40.79 97.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.332 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' C' ' 41' ' ' MET . 77.4 p -61.53 -45.85 92.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.494 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.424 ' HE ' ' NH2' ' C' ' 88' ' ' ARG . 42.2 ttm180 -59.99 -42.64 94.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.354 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.4 ttp -60.31 -43.9 95.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.316 0.579 . . . . 0.0 110.528 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.15 99.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.356 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' C' ' 18' ' ' ALA . 94.4 mt -64.63 -40.86 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.705 179.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -60.8 -41.54 95.84 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.364 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.6 -39.84 94.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.989 0.423 . . . . 0.0 110.065 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.532 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.44 -45.65 79.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.434 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.0 -38.96 90.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.4 -42.86 99.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.291 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.7 t -65.48 -43.8 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.963 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.526 ' OE1' ' CD1' ' C' ' 59' ' ' ILE . 1.1 tm0? -60.9 -42.58 98.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.313 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -55.93 -44.28 78.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.195 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.24 -37.39 82.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.485 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.471 HD11 HG11 ' C' ' 7' ' ' VAL . 96.2 mt -64.76 -28.16 69.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.526 ' CD1' ' OE1' ' C' ' 55' ' ' GLN . 96.3 mt -89.95 -33.0 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 77.3 mm-40 -73.28 -31.62 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.373 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 61' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' C' ' 60' ' ' GLU . . . 33.98 96.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.0 -45.01 91.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.821 0.343 . . . . 0.0 110.576 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.07 144.37 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.469 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.42 -79.58 0.65 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -66.2 133.61 51.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.339 . . . . 0.0 110.609 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.25 -21.33 43.54 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -102.71 105.42 15.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.633 0.254 . . . . 0.0 110.59 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -94.38 146.15 24.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.564 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.2 -81.02 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.772 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 t -98.29 115.94 39.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.69 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 14.5 p -127.23 166.26 18.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.485 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.41 -44.4 92.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.698 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.547 HG13 HG21 ' C' ' 8' ' ' VAL . 54.6 t -63.03 -44.21 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 130.087 3.355 . . . . 0.0 110.576 -177.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.9 -40.89 97.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.044 0.449 . . . . 0.0 110.992 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -60.4 -47.25 93.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.21 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.655 ' OE2' ' NE2' ' B' ' 78' ' ' GLN . 45.2 tp10 -58.55 -46.03 87.71 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.23 97.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.427 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -63.11 -40.26 97.1 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.302 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.522 ' O ' HG23 ' C' ' 83' ' ' THR . 43.2 tp -57.24 -47.13 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.457 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -67.35 -48.15 68.36 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.737 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.16 -46.12 91.85 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.858 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.7 -44.13 97.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.306 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.522 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.5 p -63.81 -47.85 79.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.21 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -61.91 -48.23 81.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.589 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -58.42 -48.25 81.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.501 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -61.88 -45.17 94.91 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.146 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 87' ' ' ALA . . . . . 0.573 ' HB2' HD11 ' B' ' 86' ' ' LEU . . . -59.26 -47.66 84.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.894 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.424 ' NH2' ' HE ' ' C' ' 45' ' ' ARG . 3.3 tmt_? -58.48 -45.55 88.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.232 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.32 -44.37 96.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.133 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.59 -43.99 92.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.135 0.493 . . . . 0.0 110.03 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.2 -42.01 91.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.358 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.42 HG23 ' SD ' ' C' ' 41' ' ' MET . 91.2 m -57.46 -45.75 84.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.123 0.487 . . . . 0.0 109.947 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.06 -41.81 99.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.469 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.481 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 16.6 mt -59.89 -42.43 93.79 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.8 mt -60.83 -42.94 94.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.609 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.37 -38.97 85.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.755 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.94 -41.18 97.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.91 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.481 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 72.0 m80 -59.5 -39.77 84.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.743 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.32 -41.3 84.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.114 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -62.97 -33.57 75.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.195 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 101' ' ' LEU . . . . . 0.403 HD21 HD21 ' B' ' 101' ' ' LEU . 85.9 mt -81.78 -11.04 59.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.354 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 38.7 tttp 73.57 15.06 4.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 103' ' ' ALA . . . . . 0.424 ' OXT' ' O ' ' C' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.564 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 121.849 0.833 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 142.99 36.72 Favored 'General case' 0 C--N 1.287 -2.145 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.99 156.31 38.59 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.994 -1.066 . . . . 0.0 109.561 179.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.16 28.49 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.33 18.94 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.047 -1.033 . . . . 0.0 108.361 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.33 19.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.77 136.69 36.95 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.194 0.997 . . . . 0.0 110.083 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -85.04 114.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.86 -4.34 19.34 Favored 'General case' 0 C--N 1.265 -3.088 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.812 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.78 85.76 Favored Pre-proline 0 N--CA 1.5 2.033 0 O-C-N 119.657 -1.902 . . . . 0.0 110.618 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -45.45 -47.76 12.65 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 124.777 3.651 . . . . 0.0 114.116 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.403 ' HA ' ' NE2' ' C' ' 52' ' ' HIS . 42.3 p30 -102.11 27.66 6.45 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 116.026 -2.269 . . . . 0.0 108.758 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.43 -142.24 46.99 Favored Glycine 0 N--CA 1.498 2.777 0 C-N-CA 117.646 -2.216 . . . . 0.0 109.584 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.2 tp -93.35 81.18 4.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.333 . . . . 0.0 109.555 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 315' ' ' HIS . . . . . 0.531 ' CE1' ' HD3' ' D' ' 318' ' ' PRO . 6.9 p-80 -79.21 177.16 9.03 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 117.885 -1.526 . . . . 0.0 112.161 -178.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.476 ' H ' HG23 ' D' ' 316' ' ' THR . 17.9 p -35.72 -65.73 0.23 Allowed 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -176.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.44 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 13.9 ttt-85 -56.26 -56.35 32.37 Favored Pre-proline 0 N--CA 1.493 1.705 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.51 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.531 ' HD3' ' CE1' ' D' ' 315' ' ' HIS . 21.0 Cg_endo -64.06 -32.13 64.76 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.365 1.376 . . . . 0.0 111.541 -177.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.437 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.02 -38.84 86.66 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.251 -0.906 . . . . 0.0 109.492 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.466 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.92 -39.71 72.54 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.97 -39.35 93.93 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.959 -1.496 . . . . 0.0 109.508 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.77 -45.34 93.14 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 122.564 1.173 . . . . 0.0 108.633 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.437 HG23 ' O ' ' D' ' 319' ' ' ALA . 56.0 t -62.66 -42.16 94.98 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.264 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.677 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.501 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.5 mttt -63.93 -40.26 96.04 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.317 -0.864 . . . . 0.0 109.781 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.536 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.63 79.94 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.46 -0.775 . . . . 0.0 109.617 177.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.93 91.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.594 -1.316 . . . . 0.0 109.47 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.41 -16.19 44.21 Favored 'General case' 0 N--CA 1.511 2.6 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.55 86.07 Favored Glycine 0 N--CA 1.48 1.583 0 O-C-N 119.88 -1.762 . . . . 0.0 109.348 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.412 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.51 143.31 32.9 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.287 -1.713 . . . . 0.0 110.002 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.8 p -75.58 -30.04 59.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.244 -0.91 . . . . 0.0 112.34 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.8 158.58 10.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 119.842 -1.786 . . . . 0.0 112.75 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.582 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.32 35.44 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 102.862 -3.014 . . . . 0.0 102.862 171.256 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.71 136.65 60.18 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.487 0 CA-C-O 122.185 0.993 . . . . 0.0 109.301 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.1 m -125.06 143.27 51.0 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-O 123.123 1.44 . . . . 0.0 109.933 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.1 t -108.14 129.92 61.57 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.702 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 173.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.44 119.6 26.49 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.851 -1.156 . . . . 0.0 108.917 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.62 122.58 39.18 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.901 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.5 t30 51.73 39.01 24.47 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.866 -1.146 . . . . 0.0 112.781 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.1 83.51 Favored Glycine 0 N--CA 1.501 3.029 0 O-C-N 119.912 -1.743 . . . . 0.0 112.549 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.94 136.26 54.59 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.78 158.59 32.96 Favored 'General case' 0 C--N 1.276 -2.588 0 CA-C-O 123.796 1.76 . . . . 0.0 112.399 -176.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.46 31.51 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 112.436 -2.166 . . . . 0.0 108.594 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.62 135.86 48.74 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 105.634 -1.988 . . . . 0.0 105.634 173.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.446 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.94 -6.78 47.54 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.701 -1.249 . . . . 0.0 110.753 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.46 12.98 31.44 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.665 -1.272 . . . . 0.0 109.367 -177.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 97.3 p -133.09 104.23 6.41 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 122.213 1.006 . . . . 0.0 110.127 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.536 HD22 ' CE ' ' A' ' 9' ' ' MET . 66.0 tp -57.27 -37.9 73.08 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.964 178.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -58.9 -51.29 70.65 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.565 -1.334 . . . . 0.0 113.086 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.08 -32.53 70.65 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 119.589 -1.945 . . . . 0.0 109.197 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.67 -33.8 75.79 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.954 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.596 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 44.1 tp60 -67.69 -10.47 52.7 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.588 -0.695 . . . . 0.0 109.945 -177.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.8 p -89.7 -7.78 53.82 Favored 'General case' 0 N--CA 1.503 2.194 0 C-N-CA 118.089 -1.445 . . . . 0.0 110.917 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 353' ' ' LEU . . . . . 0.408 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.8 mt -93.31 159.36 15.3 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.177 -0.952 . . . . 0.0 110.135 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.82 2.96 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 106.992 -2.443 . . . . 0.0 106.992 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.0 mt -119.56 47.3 1.74 Allowed 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.719 -1.46 . . . . 0.0 107.366 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.848 HG22 HG21 ' C' ' 56' ' ' THR . 4.0 p -81.41 172.52 13.44 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.77 -1.172 . . . . 0.0 109.184 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.63 140.92 57.24 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.897 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.28 78.99 Favored Glycine 0 N--CA 1.5 2.941 0 C-N-CA 119.978 -1.106 . . . . 0.0 111.378 177.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.6 m -84.37 135.85 34.12 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.87 -1.371 . . . . 0.0 110.66 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.48 123.72 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.495 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.08 160.1 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.326 0 C-N-CA 117.409 -1.716 . . . . 0.0 110.69 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 88.5 m -108.92 128.29 54.8 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.549 -1.344 . . . . 0.0 107.681 175.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.86 121.35 60.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.31 50.69 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.39 47.15 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 118.48 -1.288 . . . . 0.0 109.726 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.78 6.43 Favored 'General case' 0 C--N 1.287 -2.122 0 C-N-CA 118.535 -1.266 . . . . 0.0 108.059 178.201 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.16 -170.31 40.09 Favored Glycine 0 C--N 1.296 -1.687 0 C-N-CA 118.011 -2.042 . . . . 0.0 110.365 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.68 82.87 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.356 -0.922 . . . . 0.0 112.169 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.05 36.86 3.51 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 115.874 -2.33 . . . . 0.0 108.538 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.6 65.82 Favored 'General case' 0 N--CA 1.521 3.078 0 N-CA-C 116.863 2.171 . . . . 0.0 116.863 -174.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.441 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.57 27.32 Favored 'General case' 0 N--CA 1.509 2.498 0 O-C-N 119.503 -1.998 . . . . 0.0 110.987 -176.541 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.772 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.6 -40.7 97.59 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.5 77.65 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 117.463 -1.695 . . . . 0.0 110.066 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.5 t -66.88 -42.25 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-O 122.148 0.975 . . . . 0.0 109.198 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.89 76.55 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-O 122.089 0.947 . . . . 0.0 108.774 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.772 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.7 -38.44 76.96 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.69 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' D' ' 377' ' ' LEU . 81.0 mt -75.55 -28.61 59.1 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.397 -1.44 . . . . 0.0 110.911 -174.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.43 70.57 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.426 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.96 -49.23 62.98 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.536 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.2 -45.3 83.92 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.518 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.495 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.31 -37.43 85.52 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.832 -1.168 . . . . 0.0 111.554 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.81 -31.92 61.85 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.079 -1.013 . . . . 0.0 110.275 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.79 -32.33 46.39 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.534 -0.729 . . . . 0.0 111.367 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.15 125.53 12.51 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 124.321 2.01 . . . . 0.0 112.939 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.812 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.1 mt-10 . . . . . 0 C--N 1.277 -2.573 0 CA-C-N 111.133 -2.758 . . . . 0.0 110.148 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.55 145.94 55.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 6' ' ' GLU . 81.2 tt0 -62.62 -36.28 82.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.477 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 3' ' ' GLU . 96.8 mt -37.23 -30.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.403 -179.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 6' ' ' GLU . 15.0 pt-20 -65.08 -43.8 90.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.886 0.374 . . . . 0.0 110.264 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.5 mt-10 -66.91 -34.86 78.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.239 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.41 HG11 HD11 ' A' ' 58' ' ' LEU . 75.8 t -63.24 -43.11 98.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.638 HG21 HG13 ' A' ' 73' ' ' VAL . 80.5 t -60.98 -43.99 97.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.974 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.536 ' CE ' HD22 ' D' ' 347' ' ' LEU . 93.3 mtp -58.86 -42.27 89.02 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.07 -41.36 97.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.35 -43.1 98.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.373 . . . . 0.0 110.162 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.07 -44.03 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.713 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.501 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 90.1 mt -63.58 -44.28 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.941 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -61.89 -46.36 89.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.803 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.2 m -60.12 -44.63 94.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.003 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.9 -42.66 99.63 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.15 -43.36 98.52 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.453 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -57.33 -49.3 76.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.859 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.64 -46.15 91.4 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -54.78 -44.41 73.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.31 -42.88 99.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.688 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.661 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -58.57 -50.16 74.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.53 -41.6 90.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.631 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.78 92.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.764 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.69 90.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.661 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.28 -45.12 95.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.446 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.48 -42.17 74.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.84 -41.61 96.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.83 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.47 93.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.667 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.27 -29.58 69.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.164 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.65 -4.1 53.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.26 14.26 74.77 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -97.25 80.59 2.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.76 0.314 . . . . 0.0 110.28 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -64.94 -34.67 78.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.693 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.27 80.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.046 0.451 . . . . 0.0 110.765 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.32 80.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.38 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.55 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.94 -42.05 99.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.86 0.362 . . . . 0.0 110.6 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.69 99.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.9 mmm -66.25 -40.33 90.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.45 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.554 ' HE1' HG23 ' A' ' 92' ' ' THR . 91.3 mtp -63.15 -41.21 99.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.597 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.52 -43.82 97.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.049 0.452 . . . . 0.0 110.597 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -64.03 -40.85 97.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.266 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.2 p -62.0 -46.43 89.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.27 -42.7 95.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.305 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.6 mtp -61.36 -42.22 98.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.229 0.538 . . . . 0.0 110.533 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.42 90.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.202 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.453 HD21 ' CB ' ' A' ' 18' ' ' ALA . 94.3 mt -65.5 -40.12 92.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 49' ' ' ASN . 50.6 t-20 -60.99 -42.49 98.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.34 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.89 -40.3 94.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.193 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.14 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.431 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -60.22 -40.0 88.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 53' ' ' LEU . 40.1 mt -60.48 -44.28 96.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.371 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.5 t -66.48 -42.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 109.976 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.473 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 67.5 tp60 -60.82 -44.55 96.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 m -56.11 -43.01 77.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.054 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -61.13 -39.93 91.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.485 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.41 HD11 HG11 ' A' ' 7' ' ' VAL . 97.7 mt -68.72 -39.09 80.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.713 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.476 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 97.5 mt -67.95 -39.66 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.889 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -85.33 -11.44 54.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.45 -18.76 37.52 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.494 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 53.3 p-10 -67.7 146.19 54.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 110.543 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.09 139.49 58.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.55 -17.34 3.94 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.544 ' C ' ' H ' ' A' ' 67' ' ' LYS . 98.0 mt-10 -68.22 121.55 16.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 110.688 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.24 -37.41 0.25 Allowed Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.544 ' H ' ' C ' ' A' ' 65' ' ' GLU . 53.8 mtmt -97.61 144.43 27.28 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.702 0.287 . . . . 0.0 110.439 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.3 tpp -68.96 152.76 44.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -74.16 -1.31 19.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.5 t -99.4 121.01 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.657 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 75' ' ' VAL . 95.3 p -127.74 159.25 35.36 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.34 -43.04 88.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.644 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.638 HG13 HG21 ' A' ' 8' ' ' VAL . 47.7 t -63.41 -48.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.841 0.353 . . . . 0.0 110.531 -179.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 74' ' ' LEU . 96.2 mt -63.3 -40.73 98.15 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.032 0.444 . . . . 0.0 110.896 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 71' ' ' SER . 55.0 t -59.98 -46.95 93.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.169 -179.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -58.44 -46.34 86.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.837 0.351 . . . . 0.0 110.345 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.473 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.79 -41.95 95.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.606 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.17 -41.53 99.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.16 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 83' ' ' THR . 46.7 tp -57.23 -46.65 82.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.384 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -66.92 -46.94 73.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.693 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.35 -46.12 91.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.841 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.43 -44.17 97.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.169 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.3 p -63.25 -45.9 89.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.114 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -63.1 -49.8 73.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.462 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.7 tpp -57.14 -48.52 78.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.503 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.1 -44.13 97.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.015 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.75 82.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.861 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -58.58 -45.4 89.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.188 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -60.83 -44.69 96.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.069 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.98 -42.14 97.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.19 0.519 . . . . 0.0 109.908 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.661 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 78.4 mt -60.89 -42.33 92.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.554 HG23 ' HE1' ' A' ' 41' ' ' MET . 72.7 m -57.32 -46.04 83.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.058 0.456 . . . . 0.0 109.882 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.497 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.2 mt-10 -63.79 -43.21 97.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 0.0 109.629 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 75.5 mt -59.85 -43.82 94.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 90.9 mt -61.21 -42.96 95.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.523 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.537 ' CD ' ' NZ ' ' B' ' 30' ' ' LYS . 81.5 tt0 -60.86 -39.77 90.41 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 97' ' ' LEU . 36.5 mt -62.22 -41.66 98.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.893 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 69.6 m80 -59.79 -40.1 87.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 102' ' ' LYS . 81.6 tt0 -61.74 -39.57 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.25 -39.36 93.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.217 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.5 mt -64.13 -41.98 97.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.363 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.3 mttt -91.71 142.54 27.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.55 179.903 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.64 145.81 55.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.55 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' B' ' 6' ' ' GLU . 81.8 tt0 -62.38 -36.58 82.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.448 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' B' ' 3' ' ' GLU . 97.2 mt -37.05 -30.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.493 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' B' ' 6' ' ' GLU . 15.0 pt-20 -64.86 -44.08 90.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.967 0.413 . . . . 0.0 110.381 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.3 mt-10 -66.45 -35.02 79.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.267 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.22 -43.35 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.352 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.621 HG21 HG13 ' B' ' 73' ' ' VAL . 82.1 t -60.76 -43.69 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.845 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.8 mtp -59.2 -42.18 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.23 -41.41 96.83 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 11' ' ' LEU . 37.6 mt -63.03 -43.27 99.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.336 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.14 -44.29 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.775 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.3 -44.13 98.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.976 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -61.85 -46.42 89.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.859 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 70.3 m -59.98 -44.68 94.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.117 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.45 99.68 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.36 -43.16 98.46 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.448 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.47 -49.63 75.66 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.868 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.16 -46.42 89.74 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -54.79 -44.25 73.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.44 -42.66 98.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.747 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.659 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -58.76 -50.21 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.44 -41.52 89.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.695 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.17 93.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.748 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.4 -42.79 87.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.707 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.41 -45.26 95.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.32 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.25 -42.07 72.98 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.98 -41.39 96.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.843 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -42.74 94.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.692 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.537 ' NZ ' ' CD ' ' A' ' 96' ' ' GLU . 67.7 mttm -61.01 -29.62 69.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.037 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -80.86 -3.98 53.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.386 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.15 14.38 74.78 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.31 80.52 2.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.787 0.327 . . . . 0.0 110.422 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -64.97 -34.54 78.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.599 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.3 80.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.084 0.469 . . . . 0.0 110.777 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.36 -35.49 81.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.388 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -47.26 84.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.55 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.61 -42.29 99.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.85 0.357 . . . . 0.0 110.536 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.75 99.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 93.0 mmm -66.15 -40.47 90.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.493 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.573 ' HE1' HG23 ' B' ' 92' ' ' THR . 91.6 mtp -62.95 -41.47 99.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.602 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.17 -44.23 97.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.48 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.323 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.0 p -61.79 -46.46 89.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.503 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.4 ' HB2' ' NH2' ' B' ' 88' ' ' ARG . 61.9 ttp180 -60.31 -42.63 95.95 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.262 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.41 -42.54 98.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.253 0.549 . . . . 0.0 110.654 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.45 92.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.107 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.448 HD21 ' CB ' ' B' ' 18' ' ' ALA . 93.0 mt -65.57 -40.31 92.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.721 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 50.3 t-20 -60.76 -42.82 98.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.31 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.71 -40.12 94.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.221 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.82 75.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.466 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.74 -39.92 90.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.287 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' B' ' 53' ' ' LEU . 40.7 mt -60.42 -44.29 95.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.333 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.36 -42.92 91.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.034 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.477 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 67.5 tp60 -60.55 -44.34 96.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.9 m -56.41 -43.27 79.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.972 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.69 -40.39 92.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.915 0.388 . . . . 0.0 110.514 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 58' ' ' LEU . 97.2 mt -68.26 -39.33 82.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.652 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.494 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 97.5 mt -67.85 -39.8 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.735 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -85.23 -11.41 54.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.49 -19.09 36.24 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' B' ' 59' ' ' ILE . 52.7 p-10 -67.45 146.24 54.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.578 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.45 139.64 58.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.386 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.34 -17.44 4.0 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.543 ' C ' ' H ' ' B' ' 67' ' ' LYS . 97.5 mt-10 -68.06 121.45 16.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.741 0.305 . . . . 0.0 110.639 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.43 -37.53 0.27 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.543 ' H ' ' C ' ' B' ' 65' ' ' GLU . 54.0 mtmt -97.8 144.46 27.38 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.613 0.244 . . . . 0.0 110.464 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 7.0 tpp -68.92 153.28 44.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.63 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -74.55 -0.77 18.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.806 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.8 t -100.78 120.55 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.762 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.54 ' O ' HG23 ' B' ' 75' ' ' VAL . 90.4 p -127.14 161.22 28.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 15.9 mt -60.44 -42.96 97.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.578 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.621 HG13 HG21 ' B' ' 8' ' ' VAL . 46.2 t -62.61 -47.89 90.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.636 -177.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 98.6 mt -63.85 -40.15 95.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 71' ' ' SER . 55.6 t -60.23 -47.15 93.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.326 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.54 -46.29 87.13 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.301 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.477 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -64.57 -42.0 95.91 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.879 0.371 . . . . 0.0 110.488 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.15 -41.53 99.28 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.219 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.454 ' O ' HG23 ' B' ' 83' ' ' THR . 48.4 tp -57.27 -46.13 83.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.383 -179.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -67.27 -47.06 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.67 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.51 -45.71 93.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.867 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.44 -44.1 97.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.252 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.454 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.9 p -63.62 -45.92 88.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.134 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -62.88 -49.83 73.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.529 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 8.2 tpp -57.2 -48.54 78.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.463 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.22 -44.09 97.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 0.0 110.132 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.51 83.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.916 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.4 ' NH2' ' HB2' ' B' ' 45' ' ' ARG . 68.8 ttt-85 -59.0 -45.53 90.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.253 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.154 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.04 -42.25 97.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.155 0.502 . . . . 0.0 110.072 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.659 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 76.3 mt -60.88 -42.4 92.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.222 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.573 HG23 ' HE1' ' B' ' 41' ' ' MET . 70.4 m -57.32 -46.34 83.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.075 0.464 . . . . 0.0 109.922 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.485 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -63.26 -43.3 98.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.532 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.575 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.9 mt -59.82 -43.69 94.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 90.1 mt -61.56 -42.92 95.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.545 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.531 ' CD ' ' NZ ' ' C' ' 30' ' ' LYS . 82.0 tt0 -60.6 -40.02 90.25 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.9 mt -62.12 -41.73 98.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.875 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 69.6 m80 -59.58 -40.2 86.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.806 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' B' ' 102' ' ' LYS . 82.1 tt0 -61.57 -39.7 92.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.111 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.43 -39.43 93.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.109 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.3 mt -63.84 -41.97 97.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.369 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.3 mttt -91.94 142.51 27.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.616 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.377 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.481 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.57 146.17 55.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.641 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' C' ' 6' ' ' GLU . 80.5 tt0 -62.53 -36.68 83.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.372 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' C' ' 3' ' ' GLU . 97.3 mt -36.98 -30.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.4 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 5' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' C' ' 6' ' ' GLU . 14.9 pt-20 -64.95 -43.76 91.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 0.0 110.438 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.7 mt-10 -66.96 -34.72 78.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.27 -43.23 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.372 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.59 HG21 HG13 ' C' ' 73' ' ' VAL . 81.9 t -60.75 -44.09 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.967 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.6 mtp -58.89 -42.33 89.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.03 -41.54 97.17 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.91 -43.04 99.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.345 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.42 -44.32 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.65 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.27 -44.18 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.018 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -61.82 -46.43 89.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.816 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 71.2 m -59.95 -44.86 94.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.14 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.78 -42.46 99.68 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.16 -43.34 98.55 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.453 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -57.26 -50.06 74.09 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -59.85 -46.64 88.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -54.62 -44.38 73.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.14 -42.58 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.734 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.674 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.02 -49.8 76.52 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.92 -41.4 91.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.53 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.6 93.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.43 90.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.523 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.55 -44.82 96.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.408 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.85 -42.04 75.21 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.01 -41.35 96.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.93 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.25 92.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.842 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' LYS . . . . . 0.531 ' NZ ' ' CD ' ' B' ' 96' ' ' GLU . 67.6 mttm -61.72 -29.55 70.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.032 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.47 -4.42 53.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.444 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 14.66 73.49 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.53 80.06 2.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.761 0.315 . . . . 0.0 110.309 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -64.56 -34.46 78.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.53 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.4 79.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.108 0.48 . . . . 0.0 110.725 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.57 81.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.382 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.38 -47.41 84.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.505 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.51 -42.61 99.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.575 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.6 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 92.8 mmm -66.33 -40.69 90.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.606 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.583 ' HE1' HG23 ' C' ' 92' ' ' THR . 91.7 mtp -62.73 -41.64 99.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.678 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.18 -44.24 97.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.49 -41.23 98.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.349 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.2 p -61.8 -46.22 90.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.563 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.45 -42.66 96.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.38 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -61.36 -42.6 98.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.33 0.586 . . . . 0.0 110.497 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.66 92.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.34 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.453 HD21 ' CB ' ' C' ' 18' ' ' ALA . 94.1 mt -65.3 -40.57 93.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.721 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 49' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 49.3 t-20 -60.97 -42.32 98.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.283 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.76 -40.53 95.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.043 0.449 . . . . 0.0 110.065 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.02 -45.95 75.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.434 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.403 ' NE2' ' HA ' ' D' ' 312' ' ' ASN . 85.0 t60 -60.58 -39.77 89.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.284 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.78 -44.33 96.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.262 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.5 t -66.2 -42.63 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.97 0.415 . . . . 0.0 109.945 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.455 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 67.3 tp60 -60.8 -44.62 96.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.271 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.848 HG21 HG22 ' D' ' 356' ' ' THR . 15.5 m -56.18 -43.19 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.103 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -60.71 -40.13 91.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.905 0.384 . . . . 0.0 110.526 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.44 -39.4 81.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.483 ' O ' ' OD1' ' C' ' 62' ' ' ASP . 97.1 mt -67.74 -39.75 82.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.833 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.596 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 70.9 mm-40 -85.27 -11.51 54.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.445 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.48 -18.65 37.83 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.501 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 53.1 p-10 -67.96 146.25 53.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.869 0.366 . . . . 0.0 110.465 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.24 139.11 58.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.508 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -120.99 -17.4 4.14 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 65' ' ' GLU . . . . . 0.543 ' C ' ' H ' ' C' ' 67' ' ' LYS . 97.6 mt-10 -67.89 121.62 16.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.801 0.334 . . . . 0.0 110.581 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.08 -37.19 0.25 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.543 ' H ' ' C ' ' C' ' 65' ' ' GLU . 53.9 mtmt -97.82 144.45 27.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.675 0.274 . . . . 0.0 110.525 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 7.0 tpp -69.04 153.34 43.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.596 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -74.74 -0.66 18.87 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 t -100.26 120.31 49.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.685 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.547 ' O ' HG23 ' C' ' 75' ' ' VAL . 89.2 p -126.14 163.81 22.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 -178.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.63 -42.16 99.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.722 -177.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.59 HG13 HG21 ' C' ' 8' ' ' VAL . 46.4 t -63.73 -48.27 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 130.109 3.364 . . . . 0.0 110.68 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.411 HD22 ' CG1' ' C' ' 59' ' ' ILE . 98.1 mt -65.9 -39.78 90.91 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.015 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.547 HG23 ' O ' ' C' ' 71' ' ' SER . 55.3 t -60.71 -47.81 91.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.265 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -58.11 -46.49 85.48 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.455 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -64.62 -42.01 95.8 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.92 0.391 . . . . 0.0 110.413 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.06 -41.5 99.47 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.243 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.449 ' O ' HG23 ' C' ' 83' ' ' THR . 48.2 tp -57.35 -46.3 83.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.464 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -67.2 -46.55 73.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.776 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.08 -45.54 93.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.831 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -61.79 -43.45 98.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.305 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.449 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.5 p -64.24 -45.66 87.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.197 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -62.91 -49.7 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.7 tpp -57.38 -48.27 79.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.511 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.5 -43.93 97.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.145 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.35 -48.01 81.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.921 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -58.53 -45.47 88.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.293 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -60.51 -44.83 95.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.956 0.408 . . . . 0.0 110.178 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.85 -42.29 97.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.159 0.504 . . . . 0.0 110.033 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.674 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 78.0 mt -60.73 -42.52 92.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.346 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.583 HG23 ' HE1' ' C' ' 41' ' ' MET . 70.1 m -57.28 -46.13 83.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.014 0.435 . . . . 0.0 109.947 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.63 -43.39 96.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.463 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.577 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 76.5 mt -59.47 -43.86 93.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 95' ' ' ILE . . . . . 0.457 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 89.9 mt -61.33 -43.03 95.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.624 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.52 -39.74 88.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.773 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' C' ' 97' ' ' LEU . 35.7 mt -62.31 -41.66 98.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.918 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 70.6 m80 -59.78 -40.28 87.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.725 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.5 tt0 -61.4 -39.7 91.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.106 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.28 -39.28 93.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.223 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.22 -42.09 96.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.365 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.3 mttt -91.53 142.47 27.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.125 -0.94 . . . . 0.0 110.488 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.805 0.812 . . . . 0.0 108.985 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.81 143.09 36.68 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.29 38.51 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.036 -1.04 . . . . 0.0 109.567 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.15 28.45 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.38 18.88 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.054 -1.029 . . . . 0.0 108.383 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.84 144.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.59 37.02 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.102 0.953 . . . . 0.0 110.13 177.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.25 24.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.77 -4.34 19.46 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.805 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.81 85.81 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 119.668 -1.895 . . . . 0.0 110.558 178.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.44 -47.77 12.62 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 124.75 3.633 . . . . 0.0 114.101 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.528 ' ND2' ' CD2' ' C' ' 52' ' ' HIS . 99.6 m-20 -102.14 27.58 6.54 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 116.024 -2.27 . . . . 0.0 108.766 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.79 -143.85 46.62 Favored Glycine 0 N--CA 1.496 2.689 0 C-N-CA 117.682 -2.199 . . . . 0.0 109.559 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' D' ' 314' ' ' LEU . 13.3 tp -88.98 75.88 7.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.923 -1.34 . . . . 0.0 109.501 -177.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -69.97 175.87 4.13 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 117.921 -1.511 . . . . 0.0 112.19 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 55.0 p -38.96 -67.04 0.23 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 0.0 OUTLIER -56.36 -52.24 74.7 Favored Pre-proline 0 N--CA 1.492 1.656 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.546 -177.369 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.7 Cg_endo -64.33 -32.14 61.77 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 120.668 0.912 . . . . 0.0 111.467 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.474 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.0 -38.84 86.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.255 -0.903 . . . . 0.0 109.448 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.96 -39.73 72.4 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -63.89 -39.46 94.24 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.981 -1.488 . . . . 0.0 109.479 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.2 t80 -62.61 -45.32 93.44 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 122.59 1.186 . . . . 0.0 108.711 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.474 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.6 t -62.75 -42.22 95.39 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.667 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.78 -40.32 96.4 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.277 -0.889 . . . . 0.0 109.833 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.535 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.69 80.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.423 -0.798 . . . . 0.0 109.591 177.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.93 91.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.599 -1.313 . . . . 0.0 109.477 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.41 -16.09 43.21 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 121.288 -0.883 . . . . 0.0 113.351 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.01 -10.54 86.21 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 119.884 -1.76 . . . . 0.0 109.272 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.403 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.29 32.89 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.26 -1.729 . . . . 0.0 110.088 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.62 -29.99 59.37 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.227 -0.921 . . . . 0.0 112.346 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.57 10.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 119.768 -1.832 . . . . 0.0 112.804 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.22 35.38 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 102.865 -3.013 . . . . 0.0 102.865 171.219 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.75 136.55 60.47 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.405 0 CA-C-O 122.195 0.998 . . . . 0.0 109.303 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.9 143.28 50.93 Favored 'General case' 0 C--N 1.286 -2.174 0 CA-C-O 123.129 1.442 . . . . 0.0 109.957 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.4 t -108.17 129.97 61.51 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.693 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.5 m -127.48 119.59 26.43 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.881 -1.137 . . . . 0.0 108.887 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.62 39.31 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.861 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.7 38.92 24.11 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.87 -1.144 . . . . 0.0 112.761 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.74 11.03 83.44 Favored Glycine 0 N--CA 1.501 3.02 0 O-C-N 119.951 -1.718 . . . . 0.0 112.491 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.89 136.2 54.59 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 105.283 -2.118 . . . . 0.0 105.283 177.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.74 158.47 33.2 Favored 'General case' 0 C--N 1.275 -2.645 0 CA-C-O 123.847 1.784 . . . . 0.0 112.449 -176.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.62 151.4 31.47 Favored 'General case' 0 C--N 1.279 -2.499 0 CA-C-N 112.474 -2.148 . . . . 0.0 108.63 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.56 136.0 48.95 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 173.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.04 -6.74 47.57 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.73 -1.231 . . . . 0.0 110.723 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.5 12.99 31.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.678 -1.264 . . . . 0.0 109.396 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 38.4 t -133.12 104.19 6.39 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.203 1.001 . . . . 0.0 110.046 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.409 HD22 ' CE ' ' A' ' 9' ' ' MET . 63.4 tp -57.33 -37.81 73.11 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.926 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 348' ' ' PHE . . . . . 0.487 ' HB3' ' HZ1' ' C' ' 67' ' ' LYS . 73.0 m-85 -58.88 -51.39 70.24 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.581 -1.325 . . . . 0.0 113.075 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.38 70.44 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.515 -1.991 . . . . 0.0 109.238 -178.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.83 -33.66 75.71 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.966 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.565 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 52.6 tt0 -67.72 -10.45 52.61 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 121.683 -0.636 . . . . 0.0 109.954 -177.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 37.8 p -89.82 -7.63 53.91 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 118.069 -1.452 . . . . 0.0 110.936 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.42 159.3 15.31 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.21 -0.931 . . . . 0.0 110.212 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.78 2.96 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 106.969 -2.452 . . . . 0.0 106.969 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 90.3 mt -119.56 47.45 1.71 Allowed 'General case' 0 C--N 1.309 -1.181 0 O-C-N 120.749 -1.442 . . . . 0.0 107.383 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.429 HG22 HG21 ' C' ' 56' ' ' THR . 58.3 p -81.45 172.51 13.43 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.791 -1.163 . . . . 0.0 109.229 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -60.69 140.87 57.34 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 119.339 -0.944 . . . . 0.0 109.839 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.18 78.92 Favored Glycine 0 N--CA 1.501 3.013 0 C-N-CA 119.976 -1.106 . . . . 0.0 111.316 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.41 135.91 34.08 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 120.918 -1.342 . . . . 0.0 110.656 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.5 123.73 48.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.493 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.16 160.13 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.322 0 C-N-CA 117.403 -1.719 . . . . 0.0 110.634 178.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.99 128.36 54.88 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 120.501 -1.374 . . . . 0.0 107.598 175.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.82 121.41 60.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 176.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.27 50.71 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -179.524 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.38 47.15 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.759 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.79 6.43 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 118.55 -1.26 . . . . 0.0 108.009 178.183 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.27 40.15 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 117.989 -2.053 . . . . 0.0 110.347 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.46 -40.48 82.78 Favored 'General case' 0 C--N 1.277 -2.569 0 CA-C-N 114.408 -0.896 . . . . 0.0 112.165 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.06 36.7 3.58 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 115.918 -2.313 . . . . 0.0 108.538 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.39 -33.52 65.84 Favored 'General case' 0 N--CA 1.523 3.18 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 -174.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.461 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.64 27.42 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 119.586 -1.947 . . . . 0.0 110.958 -176.548 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.771 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.71 97.8 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.5 77.6 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.48 -1.688 . . . . 0.0 109.995 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.3 t -66.77 -42.26 89.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.255 1.026 . . . . 0.0 109.268 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.88 -47.89 76.57 Favored 'General case' 0 C--N 1.287 -2.123 0 CA-C-O 122.081 0.943 . . . . 0.0 108.757 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.771 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.74 -38.37 76.8 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.748 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.8 mt -75.55 -28.66 59.1 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.421 -1.425 . . . . 0.0 110.93 -174.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.51 71.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.85 -49.3 62.89 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.535 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.18 -45.24 83.86 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.536 177.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.493 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.36 -37.36 85.36 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.845 -1.159 . . . . 0.0 111.549 -177.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.86 61.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.112 -0.993 . . . . 0.0 110.248 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.91 -32.29 45.65 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.491 -0.756 . . . . 0.0 111.359 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.06 125.52 12.36 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 124.376 2.036 . . . . 0.0 112.843 178.648 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.805 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.0 mm-40 . . . . . 0 C--N 1.277 -2.554 0 CA-C-N 111.163 -2.744 . . . . 0.0 110.088 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.675 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.9 OUTLIER -61.49 -38.03 85.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.537 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 6' ' ' GLU . 80.6 tt0 -60.37 -75.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.972 0.415 . . . . 0.0 110.538 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.633 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.2 mt -38.6 -37.5 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.38 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -63.29 -48.63 77.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.01 0.433 . . . . 0.0 110.31 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 3' ' ' GLU . 96.6 mt-10 -66.95 -37.33 84.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.243 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.93 -43.32 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.655 HG21 HG13 ' A' ' 73' ' ' VAL . 78.3 t -61.01 -44.87 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.947 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.409 ' CE ' HD22 ' D' ' 347' ' ' LEU . 90.8 mtp -58.74 -41.98 87.73 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.67 -41.54 97.68 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 mt -63.18 -43.36 98.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.187 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.28 -43.98 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.804 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.552 HD11 ' HB1' ' D' ' 320' ' ' ALA . 89.2 mt -63.72 -44.22 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.947 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -61.74 -45.91 91.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.84 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.3 m -60.77 -44.25 97.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.997 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.5 -42.46 97.5 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -63.63 -45.67 89.18 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.56 80.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.837 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -59.99 -45.94 91.07 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 m -57.1 -43.97 82.78 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.73 -42.18 99.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.693 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.572 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -56.64 -48.66 77.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -59.48 -39.44 83.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.63 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.95 95.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.768 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.26 91.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.595 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.459 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -56.12 -41.51 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.1 -41.03 97.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.74 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.39 97.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.71 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.48 -29.1 69.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.02 -3.75 49.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.483 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.79 14.58 67.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.7 79.37 2.23 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.785 0.326 . . . . 0.0 110.259 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -65.2 -34.26 77.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.663 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.5 78.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.055 0.455 . . . . 0.0 110.745 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -35.4 80.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.52 84.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.556 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.51 -41.62 98.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.634 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.25 93.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.793 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.3 mmm -65.24 -40.74 94.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.516 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.17 -41.63 99.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.628 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -63.0 -44.8 95.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.022 0.439 . . . . 0.0 110.546 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -63.68 -41.48 98.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.246 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -61.5 -45.18 95.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.589 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.415 ' HA ' HH11 ' A' ' 88' ' ' ARG . 62.8 ttm-85 -60.85 -43.1 98.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.257 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.9 -43.93 97.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.145 0.498 . . . . 0.0 110.526 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.71 98.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.17 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 84' ' ' SER . 12.0 mt -65.6 -39.63 91.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.667 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -59.99 -43.84 94.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.245 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.17 -38.49 90.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.236 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.4 80.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.48 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -63.57 -37.5 87.56 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.441 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.97 -41.94 97.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.376 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.07 -43.37 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.045 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.57 ' OE1' HD12 ' A' ' 81' ' ' LEU . 28.3 tt0 -60.45 -42.06 95.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.29 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.0 m -56.84 -44.21 81.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.041 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.98 -39.6 95.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.917 0.389 . . . . 0.0 110.53 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.445 HD22 ' CD2' ' A' ' 4' ' ' LEU . 96.3 mt -66.09 -30.61 71.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.693 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.17 -34.54 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.861 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -77.17 -31.4 55.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.32 163.76 0.49 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -83.95 -87.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.53 146.22 54.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.522 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.08 -13.07 75.31 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -71.43 115.22 10.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.664 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.35 23.03 78.15 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -57.96 133.04 55.14 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.691 0.281 . . . . 0.0 110.457 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mtt -105.06 136.96 43.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.632 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' HG2' HG23 ' A' ' 70' ' ' VAL . 65.4 tttm -79.39 -78.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.577 HG21 ' OE1' ' B' ' 76' ' ' GLU . 54.0 t -109.7 130.46 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.714 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 75' ' ' VAL . 84.0 p -129.65 162.56 28.03 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.25 -44.99 84.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.655 HG13 HG21 ' A' ' 8' ' ' VAL . 56.9 t -63.6 -47.41 91.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.514 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 74' ' ' LEU . 91.8 mt -62.95 -40.33 97.33 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.043 0.449 . . . . 0.0 110.911 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 71' ' ' SER . 55.5 t -58.91 -47.35 89.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.145 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' OE1' HG21 ' C' ' 70' ' ' VAL . 84.8 tt0 -58.93 -44.61 91.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.804 0.335 . . . . 0.0 110.364 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.08 89.89 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.668 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.24 -41.52 99.09 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.067 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 83' ' ' THR . 59.3 tp -57.79 -46.53 84.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.421 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.4 ' O ' ' OG1' ' A' ' 83' ' ' THR . 68.6 m80 -67.74 -48.46 66.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.57 HD12 ' OE1' ' A' ' 55' ' ' GLN . 14.7 mt -61.83 -44.97 95.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.808 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -60.6 -44.64 96.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.185 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.3 p -61.8 -43.99 97.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.07 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.422 ' HB2' HD21 ' A' ' 48' ' ' LEU . 78.1 p -62.81 -48.52 78.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.515 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.454 ' CE ' HH12 ' B' ' 19' ' ' ARG . 54.0 ttp -58.05 -47.77 82.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.523 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.22 -45.0 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.032 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.17 -45.36 91.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.806 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.415 HH11 ' HA ' ' A' ' 45' ' ' ARG . 53.8 ttp180 -58.31 -47.14 84.65 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.075 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 99.1 mt-10 -61.52 -43.53 98.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.024 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.95 -43.76 91.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.172 0.511 . . . . 0.0 109.852 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.572 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 75.9 mt -60.96 -42.54 93.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.272 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -57.64 -45.52 85.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.05 0.452 . . . . 0.0 109.902 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.535 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.2 mt-10 -63.69 -42.75 97.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.563 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.508 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 77.6 mt -59.95 -43.7 94.84 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.84 -42.95 94.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.505 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.56 -40.21 90.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.134 0.492 . . . . 0.0 109.763 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.45 -41.39 98.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.901 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 63.3 m80 -58.61 -41.0 84.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.9 -39.06 84.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.19 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.7 -35.22 80.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.278 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.44 -7.53 59.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.7 tptp 67.05 21.52 10.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.511 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.543 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.684 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 0.9 OUTLIER -61.55 -37.85 85.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 -179.793 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' B' ' 6' ' ' GLU . 80.5 tt0 -60.52 -75.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.437 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 8' ' ' VAL . 98.1 mt -38.31 -37.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.423 -179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -63.42 -48.72 76.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.902 0.382 . . . . 0.0 110.285 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' B' ' 3' ' ' GLU . 96.6 mt-10 -66.61 -37.35 84.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.159 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.16 -43.12 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.324 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.627 HG21 HG13 ' B' ' 73' ' ' VAL . 78.3 t -61.26 -44.71 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.868 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.08 -41.88 89.07 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.41 -41.8 97.91 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.2 mt -63.08 -43.34 98.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.746 0.308 . . . . 0.0 110.357 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.31 -44.15 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.719 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.63 -44.01 98.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.892 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.91 -46.09 90.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.822 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -60.63 -44.28 96.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.055 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.36 -42.28 97.77 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.87 -45.78 87.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.96 -48.75 79.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.9 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 69.9 ttt180 -60.02 -45.95 91.11 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.8 m -56.97 -44.04 82.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.51 -42.76 99.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.783 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.578 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -56.12 -48.64 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.485 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 21.9 m-85 -59.64 -39.36 84.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.693 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.16 96.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.719 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.65 -43.45 89.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.635 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.62 -44.71 96.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.34 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -55.97 -41.62 75.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.86 -41.3 97.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.836 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.75 96.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.712 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.37 -29.05 69.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.086 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.14 -3.73 50.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.39 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.71 14.68 67.26 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -99.66 79.06 2.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.781 0.324 . . . . 0.0 110.299 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -65.22 -33.91 77.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.57 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.79 76.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.052 0.454 . . . . 0.0 110.808 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.19 -35.21 80.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.422 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.54 84.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.507 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 110.575 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.48 92.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.666 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 97.4 mmm -65.3 -40.55 93.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.12 -42.15 99.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.553 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -62.63 -44.96 94.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.45 -41.72 98.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.27 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -61.37 -45.45 94.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -60.53 -43.1 97.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 110.33 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.82 -43.91 97.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.313 0.578 . . . . 0.0 110.643 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.58 98.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.236 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.413 HD21 ' HB2' ' B' ' 84' ' ' SER . 11.8 mt -65.7 -39.46 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.695 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' B' ' 49' ' ' ASN . 51.4 t-20 -60.02 -44.07 94.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.312 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.9 -38.83 92.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.153 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.52 82.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.455 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -63.61 -37.73 88.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.326 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 40.4 mt -60.76 -42.06 96.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.0 -43.45 97.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.101 0.477 . . . . 0.0 110.035 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.57 ' OE1' HD12 ' B' ' 81' ' ' LEU . 28.0 tt0 -60.52 -41.94 95.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.267 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.4 m -56.98 -44.25 82.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.931 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.94 -39.69 95.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.859 0.361 . . . . 0.0 110.546 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.455 HD22 ' CD2' ' B' ' 4' ' ' LEU . 94.9 mt -66.0 -30.71 71.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.643 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -82.96 -34.75 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.786 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -77.12 -31.24 55.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.523 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.27 163.62 0.47 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -83.74 -87.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.359 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.05 146.52 54.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.389 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.25 -13.43 73.97 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -71.2 115.37 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.63 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.43 22.96 78.12 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -57.89 133.23 55.27 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.543 0.211 . . . . 0.0 110.451 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 66.2 mtt -105.33 137.32 43.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.643 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.426 ' HG2' HG23 ' B' ' 70' ' ' VAL . 64.7 tttm -80.03 -77.95 0.18 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.882 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.546 HG21 ' OE1' ' C' ' 76' ' ' GLU . 68.1 t -110.63 129.91 64.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.802 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.603 ' O ' HG23 ' B' ' 75' ' ' VAL . 89.8 p -129.03 164.43 23.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.568 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.97 -44.42 94.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.524 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.627 HG13 HG21 ' B' ' 8' ' ' VAL . 54.5 t -62.89 -46.75 95.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.655 -178.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.39 -40.01 96.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.603 HG23 ' O ' ' B' ' 71' ' ' SER . 55.7 t -58.97 -47.04 91.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.308 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.577 ' OE1' HG21 ' A' ' 70' ' ' VAL . 76.9 tt0 -58.97 -45.13 91.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.16 91.06 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.903 0.382 . . . . 0.0 110.421 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -63.09 -41.64 99.45 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.204 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.486 ' O ' HG23 ' B' ' 83' ' ' THR . 58.7 tp -57.84 -46.73 84.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.414 ' O ' ' OG1' ' B' ' 83' ' ' THR . 69.3 m80 -67.38 -48.58 67.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.743 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.57 HD12 ' OE1' ' B' ' 55' ' ' GLN . 14.7 mt -61.88 -44.97 95.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -60.54 -44.63 95.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.238 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.486 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.6 p -61.69 -44.12 97.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' SER . . . . . 0.413 ' HB2' HD21 ' B' ' 48' ' ' LEU . 78.2 p -62.87 -48.56 78.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' MET . . . . . 0.444 ' CE ' HH12 ' C' ' 19' ' ' ARG . 53.6 ttp -57.89 -47.79 81.75 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.525 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.34 -44.54 97.01 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.096 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.62 90.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.839 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -58.29 -46.91 85.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.228 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 99.1 mt-10 -61.74 -43.74 98.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.166 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.76 -43.58 92.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.103 0.477 . . . . 0.0 109.982 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.578 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 75.5 mt -61.02 -42.6 93.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.161 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.44 -45.64 84.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.068 0.461 . . . . 0.0 109.871 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' GLU . . . . . 0.52 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.6 mt-10 -63.92 -42.59 97.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.472 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.535 HD13 ' OE1' ' A' ' 93' ' ' GLU . 77.9 mt -59.85 -43.82 94.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.76 -43.17 94.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.502 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.31 -40.2 89.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.78 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.39 -41.65 98.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.833 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 63.6 m80 -58.4 -40.81 83.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.762 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.19 -38.76 84.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.043 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.22 -35.0 79.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.198 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.0 mt -83.39 -7.72 59.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.442 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 16.0 tptp 67.2 21.33 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.571 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.921 -1.037 . . . . 0.0 110.551 -179.88 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.663 ' CD ' ' H ' ' C' ' 2' ' ' GLU . 0.8 OUTLIER -61.4 -38.02 85.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.76 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' C' ' 6' ' ' GLU . 81.1 tt0 -60.4 -75.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.389 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.62 ' O ' HG23 ' C' ' 8' ' ' VAL . 98.0 mt -38.45 -37.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.43 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -63.3 -48.63 77.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 110.456 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' C' ' 3' ' ' GLU . 96.8 mt-10 -66.99 -36.76 82.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.331 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.44 -43.11 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.354 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.62 HG23 ' O ' ' C' ' 4' ' ' LEU . 78.6 t -61.31 -44.69 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.006 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.6 mtp -59.2 -42.15 90.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.12 -41.91 98.25 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' C' ' 11' ' ' LEU . 30.6 mt -62.75 -43.69 98.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.364 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.15 -44.06 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.7 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.52 -44.19 98.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.006 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.83 -45.87 91.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.856 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 66.4 m -60.67 -44.3 96.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.161 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.48 -42.25 97.62 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -63.7 -45.62 89.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.81 79.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 70.5 ttt180 -60.06 -45.55 92.47 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 64.9 m -57.46 -44.08 84.51 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.37 -42.39 99.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.675 178.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.577 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -56.55 -48.68 76.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.481 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.1 m-85 -59.52 -39.26 83.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.555 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.75 96.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.721 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.11 92.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.578 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.8 -45.03 95.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.364 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -55.7 -41.94 74.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.939 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.69 96.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.824 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.49 -29.24 69.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.048 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -79.61 -4.17 50.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.29 14.32 66.59 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.56 79.21 2.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.78 0.324 . . . . 0.0 110.283 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.31 -33.97 77.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.483 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.44 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 110.697 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.26 80.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.373 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.04 86.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.455 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.98 -41.9 99.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.521 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.28 94.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.75 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 97.5 mmm -65.2 -40.98 94.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 3.4 mmt -63.06 -41.84 99.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.597 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -63.05 -44.78 94.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.399 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -63.45 -42.01 98.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -61.01 -45.58 94.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.4 ' HA ' HH11 ' C' ' 88' ' ' ARG . 63.1 ttm-85 -60.45 -43.08 97.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.872 0.367 . . . . 0.0 110.34 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.72 -44.26 96.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.366 0.603 . . . . 0.0 110.494 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.21 -43.79 98.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.334 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' C' ' 84' ' ' SER . 11.8 mt -65.61 -39.85 91.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.77 -43.84 94.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.387 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.15 -39.07 92.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.03 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.77 82.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.465 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.528 ' CD2' ' ND2' ' D' ' 312' ' ' ASN . 29.2 t-80 -63.48 -37.64 88.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.29 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' C' ' 53' ' ' LEU . 39.5 mt -61.03 -41.86 97.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.336 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -63.88 -43.44 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.044 0.449 . . . . 0.0 109.957 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.575 ' OE1' HD12 ' C' ' 81' ' ' LEU . 28.1 tt0 -60.62 -42.16 96.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.264 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.429 HG21 HG22 ' D' ' 356' ' ' THR . 76.5 m -56.52 -44.4 80.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.129 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -63.1 -39.32 94.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.501 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' C' ' 4' ' ' LEU . 95.4 mt -65.88 -30.97 71.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.401 HG13 HD22 ' C' ' 74' ' ' LEU . 96.4 mt -82.97 -34.44 11.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.838 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.565 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 69.3 mm-40 -77.39 -31.4 54.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.44 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.62 163.87 0.57 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -84.28 -87.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.331 . . . . 0.0 110.526 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.84 146.1 54.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.509 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.1 -13.37 74.53 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -71.05 115.5 10.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 110.56 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.52 22.63 78.33 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 67' ' ' LYS . . . . . 0.487 ' HZ1' ' HB3' ' D' ' 348' ' ' PHE . 60.8 pttt -57.52 133.08 54.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.597 0.237 . . . . 0.0 110.552 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 66.2 mtt -105.49 137.11 43.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.569 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.423 ' HG2' HG23 ' C' ' 70' ' ' VAL . 64.4 tttm -79.6 -78.38 0.16 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.508 HG21 ' OE1' ' A' ' 76' ' ' GLU . 66.5 t -110.19 129.62 64.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.802 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.612 ' O ' HG23 ' C' ' 75' ' ' VAL . 89.7 p -127.99 166.66 17.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.523 -178.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 72' ' ' LEU . 74.6 mt -61.6 -43.61 98.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.689 -177.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.619 HG13 HG21 ' C' ' 8' ' ' VAL . 54.4 t -64.14 -47.29 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 130.061 3.344 . . . . 0.0 110.636 -178.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.401 HD22 HG13 ' C' ' 59' ' ' ILE . 97.1 mt -65.28 -39.73 92.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 177.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.612 HG23 ' O ' ' C' ' 71' ' ' SER . 54.7 t -59.23 -47.45 90.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.186 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 76' ' ' GLU . . . . . 0.546 ' OE1' HG21 ' B' ' 70' ' ' VAL . 76.3 tt0 -59.2 -45.1 91.96 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.89 91.85 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.814 0.34 . . . . 0.0 110.393 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.47 -41.27 98.61 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.27 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.485 ' O ' HG23 ' C' ' 83' ' ' THR . 58.1 tp -58.12 -46.73 85.1 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.547 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -67.57 -48.17 67.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.738 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 81' ' ' LEU . . . . . 0.575 HD12 ' OE1' ' C' ' 55' ' ' GLN . 14.7 mt -62.12 -45.01 95.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.848 -178.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -60.56 -44.53 96.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.361 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.485 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.8 p -61.83 -43.9 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.15 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 84' ' ' SER . . . . . 0.416 ' HB2' HD21 ' C' ' 48' ' ' LEU . 77.7 p -63.11 -48.21 79.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.552 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 54.6 ttp -58.1 -48.14 81.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.705 0.288 . . . . 0.0 110.479 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.98 -44.89 96.72 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.131 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.1 88.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.935 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.4 HH11 ' HA ' ' C' ' 45' ' ' ARG . 53.8 ttp180 -57.86 -47.27 83.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.262 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.21 -43.61 98.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.903 0.383 . . . . 0.0 110.179 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.12 -43.63 91.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 0.0 110.024 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.577 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 75.6 mt -60.86 -42.61 93.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.347 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.41 -45.67 84.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.092 0.472 . . . . 0.0 109.982 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.86 -42.81 97.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.497 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.52 HD13 ' OE1' ' B' ' 93' ' ' GLU . 78.6 mt -59.59 -43.83 93.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.73 -43.12 94.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.561 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -39.92 89.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.709 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 97' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' C' ' 97' ' ' LEU . 86.1 mt -62.49 -41.57 98.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.857 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.475 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.1 m80 -58.5 -41.32 85.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -59.72 -38.89 82.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.86 -35.16 80.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.224 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 87.8 mt -83.57 -7.76 59.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.267 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 16.0 tptp 67.51 21.24 9.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.533 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.518 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.531 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.71 0 CA-C-O 121.873 0.844 . . . . 0.0 108.898 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.79 142.97 36.68 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.26 38.52 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.968 -1.083 . . . . 0.0 109.528 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.1 149.19 28.54 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.27 19.02 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.999 -1.063 . . . . 0.0 108.392 178.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.29 19.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 107.499 -1.296 . . . . 0.0 107.499 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.5 m -96.64 136.55 37.01 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.164 0.983 . . . . 0.0 110.192 177.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.94 114.31 24.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.86 -4.33 19.34 Favored 'General case' 0 C--N 1.265 -3.085 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.811 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.85 85.85 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 119.765 -1.834 . . . . 0.0 110.661 178.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.49 -47.67 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.725 3.617 . . . . 0.0 114.172 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -102.17 27.57 6.56 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 116.066 -2.254 . . . . 0.0 108.787 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 71.11 -93.73 0.52 Allowed Glycine 0 N--CA 1.496 2.655 0 C-N-CA 117.674 -2.203 . . . . 0.0 109.617 -175.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.537 ' O ' HD12 ' D' ' 314' ' ' LEU . 0.8 OUTLIER -169.99 59.14 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.904 -1.351 . . . . 0.0 109.524 179.82 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 315' ' ' HIS . . . . . 0.783 ' CE1' ' HG1' ' D' ' 316' ' ' THR . 3.1 p80 -52.69 -171.56 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 117.856 -1.538 . . . . 0.0 112.09 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.783 ' HG1' ' CE1' ' D' ' 315' ' ' HIS . 44.9 p -31.23 -65.95 0.12 Allowed 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -176.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.461 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -45.21 -65.79 0.59 Allowed Pre-proline 0 N--CA 1.492 1.674 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.581 -176.856 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.67 -32.18 57.94 Favored 'Trans proline' 0 N--CA 1.484 0.963 0 C-N-CA 121.259 1.306 . . . . 0.0 111.514 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.465 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.0 -38.88 86.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.196 -0.94 . . . . 0.0 109.471 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.8 72.56 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -64.0 -39.31 93.82 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.964 -1.494 . . . . 0.0 109.459 177.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.41 92.96 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.598 1.19 . . . . 0.0 108.698 -177.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.465 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.2 t -62.6 -42.2 95.04 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.281 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.694 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -63.89 -40.28 96.14 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 109.708 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.84 80.2 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.453 -0.779 . . . . 0.0 109.564 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.94 91.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.599 -1.313 . . . . 0.0 109.482 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.38 -16.25 44.51 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.53 86.11 Favored Glycine 0 N--CA 1.479 1.551 0 O-C-N 119.956 -1.715 . . . . 0.0 109.246 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.5 143.32 32.88 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.275 -1.721 . . . . 0.0 110.023 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.62 -30.06 59.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.254 -0.903 . . . . 0.0 112.315 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.57 10.08 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 119.723 -1.861 . . . . 0.0 112.826 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.3 35.43 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 102.798 -3.038 . . . . 0.0 102.798 171.268 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.74 136.56 60.44 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.448 0 CA-C-O 122.215 1.007 . . . . 0.0 109.287 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -124.95 143.12 51.04 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-O 123.092 1.425 . . . . 0.0 110.025 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.0 130.01 61.19 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.718 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.8 m -127.52 119.47 26.11 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.844 -1.16 . . . . 0.0 108.944 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.5 122.61 39.32 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.534 -0.729 . . . . 0.0 109.918 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.7 38.92 24.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.936 -1.103 . . . . 0.0 112.798 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.67 11.07 83.46 Favored Glycine 0 N--CA 1.501 3.006 0 O-C-N 119.913 -1.742 . . . . 0.0 112.57 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.9 m -124.75 158.55 33.02 Favored 'General case' 0 C--N 1.275 -2.651 0 CA-C-O 123.83 1.776 . . . . 0.0 112.388 -176.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.5 31.56 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.45 -2.159 . . . . 0.0 108.569 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.7 135.95 48.66 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.92 -6.81 47.7 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.724 -1.235 . . . . 0.0 110.72 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.52 12.93 31.71 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.627 -1.296 . . . . 0.0 109.393 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.0 t -133.04 104.12 6.37 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 122.178 0.99 . . . . 0.0 110.145 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.19 -37.96 72.93 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.982 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -58.83 -51.37 70.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.61 -1.306 . . . . 0.0 113.126 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 349' ' ' LYS . . . . . 0.549 ' NZ ' ' OE2' ' C' ' 65' ' ' GLU . 37.6 tptt -70.05 -32.46 70.58 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 119.498 -2.001 . . . . 0.0 109.193 -178.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.77 -33.7 75.7 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.939 -1.105 . . . . 0.0 109.965 -177.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.603 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 44.4 tp60 -67.71 -10.49 52.96 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.646 -0.659 . . . . 0.0 109.87 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 352' ' ' THR . . . . . 0.588 HG22 ' O ' ' C' ' 63' ' ' ALA . 34.5 p -89.69 -7.8 53.79 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 118.188 -1.405 . . . . 0.0 110.961 -178.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 353' ' ' LEU . . . . . 0.52 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 96.2 mt -93.26 159.35 15.31 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.157 -0.964 . . . . 0.0 110.153 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.74 104.84 2.97 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 177.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 355' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' D' ' 361' ' ' VAL . 74.3 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.135 0 O-C-N 120.638 -1.507 . . . . 0.0 107.335 -178.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.596 HG22 HG21 ' C' ' 56' ' ' THR . 58.2 p -81.41 172.51 13.46 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.246 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.68 140.85 57.33 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.817 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.49 -3.18 78.72 Favored Glycine 0 N--CA 1.501 3.025 0 C-N-CA 120.043 -1.075 . . . . 0.0 111.344 177.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.46 136.0 34.02 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.888 -1.36 . . . . 0.0 110.594 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.61 123.72 49.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 176.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.18 160.11 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.338 0 C-N-CA 117.412 -1.715 . . . . 0.0 110.622 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.7 m -108.91 128.39 54.89 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.487 -1.383 . . . . 0.0 107.567 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.86 121.49 60.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 176.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.2 50.71 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.608 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.48 47.23 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.478 -1.289 . . . . 0.0 109.753 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.531 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.25 110.79 6.41 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 118.524 -1.271 . . . . 0.0 108.031 178.205 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.25 -170.33 40.16 Favored Glycine 0 C--N 1.296 -1.65 0 C-N-CA 117.963 -2.065 . . . . 0.0 110.319 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.29 -40.66 82.54 Favored 'General case' 0 C--N 1.276 -2.605 0 CA-C-N 114.327 -0.936 . . . . 0.0 112.239 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.08 36.84 3.53 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 115.894 -2.322 . . . . 0.0 108.625 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.36 -33.62 65.85 Favored 'General case' 0 N--CA 1.521 3.086 0 N-CA-C 116.82 2.155 . . . . 0.0 116.82 -174.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.451 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.61 27.76 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 119.621 -1.924 . . . . 0.0 110.984 -176.539 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.762 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.55 -40.68 97.62 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.43 77.86 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.452 -1.699 . . . . 0.0 110.058 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.7 t -66.81 -42.26 88.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-O 122.216 1.008 . . . . 0.0 109.314 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.91 -47.9 76.63 Favored 'General case' 0 C--N 1.286 -2.191 0 CA-C-O 122.059 0.933 . . . . 0.0 108.724 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.762 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.1 m80 -69.77 -38.32 76.68 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.707 -178.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.5 mt -75.61 -28.64 58.95 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.371 -1.456 . . . . 0.0 110.919 -174.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.5 71.41 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.42 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.82 -49.39 62.51 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.17 -45.18 83.89 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.552 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.39 -37.37 85.5 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.871 -1.143 . . . . 0.0 111.547 -177.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.84 61.66 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.122 -0.986 . . . . 0.0 110.227 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.88 -32.29 45.84 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.455 -0.778 . . . . 0.0 111.328 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.13 125.5 12.43 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 124.388 2.042 . . . . 0.0 112.853 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.811 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 32.0 tt0 . . . . . 0 C--N 1.278 -2.514 0 CA-C-N 111.094 -2.775 . . . . 0.0 110.151 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.502 ' O ' HG22 ' A' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -88.72 -76.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.502 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 6' ' ' GLU . 47.9 tp10 -63.17 138.17 58.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.438 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 8' ' ' VAL . 65.5 mt -39.25 -36.57 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.408 -179.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.73 -49.42 75.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.254 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.5 mt-10 -65.79 -36.22 82.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.274 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 1' ' ' ALA . 75.3 t -63.73 -43.05 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.339 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 4' ' ' LEU . 71.7 t -61.05 -45.83 97.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.985 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.0 -42.22 89.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.02 -41.41 99.88 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 11' ' ' LEU . 31.6 mt -63.6 -43.21 97.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.901 0.382 . . . . 0.0 110.243 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.01 -44.65 99.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.755 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.08 -44.63 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.967 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -61.65 -45.73 92.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.743 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.5 m -59.92 -44.29 94.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.003 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.461 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.12 -42.64 99.45 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.77 -44.55 93.07 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.91 -49.28 77.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -61.02 -45.23 95.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.9 t -56.2 -44.5 79.53 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.48 -41.0 96.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.721 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.498 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.82 -47.68 81.95 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -59.51 -42.07 91.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.639 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.79 89.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.745 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.85 89.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.675 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.7 -44.79 96.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.491 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.21 -42.73 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.2 -41.27 92.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.818 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.25 93.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.7 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.21 -30.08 70.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.15 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.38 -3.86 51.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.415 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.36 13.07 79.51 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -95.49 81.24 3.53 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.248 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -64.92 -34.41 78.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.65 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.94 81.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.057 0.456 . . . . 0.0 110.735 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.58 80.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.348 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -48.29 79.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.586 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.38 -43.95 96.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.684 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.81 99.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.7 mmm -65.46 -42.32 92.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.517 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.569 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.8 mtm -63.84 -41.1 97.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.28 -45.54 92.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 0.0 110.531 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.96 -41.5 97.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.2 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.3 m -60.52 -45.67 92.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.56 -42.53 96.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.85 -43.12 98.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.238 0.542 . . . . 0.0 110.605 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.76 99.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.213 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.535 HD12 ' HE ' ' A' ' 88' ' ' ARG . 90.6 mt -64.75 -40.77 95.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.691 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -60.63 -41.9 95.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.248 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.1 -39.88 93.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.228 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.65 -43.75 83.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.476 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.29 -37.71 88.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 53' ' ' LEU . 36.7 mt -61.19 -43.56 98.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.309 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.84 -44.03 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.033 0.444 . . . . 0.0 110.019 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.457 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 68.0 tp60 -60.78 -43.25 98.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.269 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -59.83 -41.93 92.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.015 0.436 . . . . 0.0 110.025 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.18 -34.51 73.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.513 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' ASP . 90.4 mt -71.65 -60.07 2.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.735 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.401 ' CG1' HD22 ' A' ' 74' ' ' LEU . 70.0 mt -56.39 -36.75 48.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.858 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -74.02 -31.35 62.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.96 -10.86 60.86 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 58' ' ' LEU . 96.5 m-20 -92.73 -25.06 18.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 110.619 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.39 91.05 3.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.33 176.16 41.61 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -70.3 117.27 11.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.352 . . . . 0.0 110.633 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.57 -0.31 81.73 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -103.09 147.1 27.41 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.756 0.313 . . . . 0.0 110.437 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.3 mmm -76.22 139.25 41.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.563 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -87.74 -4.76 58.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -99.11 116.15 41.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.678 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.59 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.8 p -129.92 162.16 29.24 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.4 mt -57.09 -45.74 83.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.672 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.61 HG13 HG21 ' A' ' 8' ' ' VAL . 71.6 t -64.06 -47.83 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 120.896 0.379 . . . . 0.0 110.548 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.401 HD22 ' CG1' ' A' ' 59' ' ' ILE . 97.7 mt -63.22 -40.93 98.87 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -178.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 71' ' ' SER . 55.7 t -59.26 -47.18 91.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.155 -179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.16 -44.74 92.13 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.313 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -65.61 -43.46 89.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.609 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.3 -41.45 98.96 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.169 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 83' ' ' THR . 46.4 tp -57.79 -45.93 85.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.425 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -67.06 -46.83 73.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.713 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.67 -45.52 93.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.854 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.43 -43.48 98.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.242 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.9 p -64.15 -47.15 81.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.128 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.43 -49.12 76.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -58.05 -47.4 83.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.566 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.29 -45.36 93.63 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.103 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.4 85.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.856 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.535 ' HE ' HD12 ' A' ' 48' ' ' LEU . 8.9 tmm_? -58.16 -45.28 87.74 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.132 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.584 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 96.1 mt-10 -62.41 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.042 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.88 -42.74 94.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.178 0.513 . . . . 0.0 109.863 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.498 HD12 ' HB1' ' A' ' 22' ' ' ALA . 78.2 mt -60.61 -41.94 89.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.0 m -58.12 -45.55 87.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.018 0.437 . . . . 0.0 109.917 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.91 -43.71 98.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.542 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.559 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 81.0 mt -59.45 -43.34 93.2 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.569 HD12 ' SD ' ' A' ' 41' ' ' MET . 89.7 mt -61.94 -42.87 96.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.547 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.543 ' OE2' ' NZ ' ' B' ' 30' ' ' LYS . 81.1 tt0 -61.59 -38.76 88.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 97' ' ' LEU . 35.7 mt -61.79 -41.46 97.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.862 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.559 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.4 m80 -59.58 -38.12 80.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 102' ' ' LYS . 81.2 tt0 -62.24 -40.61 96.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.204 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.413 ' HZ3' ' HG2' ' A' ' 96' ' ' GLU . 62.2 mttp -64.39 -38.94 92.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.244 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.96 -41.8 97.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.431 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 99' ' ' GLU . 64.5 mttp -92.62 142.2 27.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.516 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.616 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.501 ' O ' HG22 ' B' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -88.53 -76.79 0.38 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' B' ' 6' ' ' GLU . 48.2 tp10 -63.09 138.05 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.44 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.635 ' O ' HG23 ' B' ' 8' ' ' VAL . 65.1 mt -39.14 -36.64 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.468 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.9 -49.21 75.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 110.33 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.4 mt-10 -65.64 -36.44 83.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.218 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.501 HG22 ' O ' ' B' ' 1' ' ' ALA . 79.2 t -63.6 -42.92 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 4' ' ' LEU . 73.2 t -61.25 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.851 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.22 -41.97 89.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.06 -41.91 99.72 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.23 -43.02 99.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.409 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.46 -44.53 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.732 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.13 -44.34 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.92 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -61.77 -45.95 91.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.811 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.1 m -59.73 -44.3 93.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.141 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -42.53 99.34 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -63.47 -44.92 93.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.28 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.879 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.584 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 68.8 ttt180 -61.07 -45.34 95.13 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.1 t -56.14 -44.12 78.91 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.62 -41.52 97.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.733 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.509 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.55 -47.73 81.23 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.3 m-85 -59.22 -42.3 90.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.663 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.61 88.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.738 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.62 91.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.658 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.93 -44.85 95.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.333 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -55.08 -43.1 73.6 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -59.87 -41.25 91.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.933 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.12 93.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.75 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OE2' ' A' ' 96' ' ' GLU . 67.8 mttm -61.12 -30.27 70.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.02 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -80.15 -4.09 51.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.42 13.12 79.3 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.49 81.2 3.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 110.293 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -65.03 -34.55 78.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.603 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.44 -47.95 81.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.97 0.415 . . . . 0.0 110.753 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.77 81.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.434 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -48.17 79.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.526 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.47 -44.26 96.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.76 99.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.68 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.5 mmm -65.66 -42.32 91.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.613 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.583 ' SD ' HD12 ' B' ' 95' ' ' ILE . 74.1 mtm -63.73 -41.26 98.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.549 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -62.11 -45.7 92.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.444 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.81 -41.68 97.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.272 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -60.33 -45.87 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.441 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -60.49 -42.45 96.35 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.327 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.81 -42.93 98.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.267 0.556 . . . . 0.0 110.657 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.05 99.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.186 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.539 HD12 ' HE ' ' B' ' 88' ' ' ARG . 90.1 mt -65.38 -40.67 93.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.77 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -60.78 -41.62 95.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.299 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.23 -40.26 93.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.156 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.13 85.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.391 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.99 -38.15 90.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.288 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.75 -43.83 97.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.332 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.65 -43.6 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.049 0.452 . . . . 0.0 110.012 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.451 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 67.6 tp60 -61.27 -43.06 99.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.187 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.5 m -60.17 -41.87 93.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.959 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.31 -34.22 73.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.906 0.384 . . . . 0.0 110.553 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' B' ' 62' ' ' ASP . 90.0 mt -71.9 -60.08 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.703 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.402 ' CG1' HD22 ' B' ' 74' ' ' LEU . 69.4 mt -56.28 -36.97 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.764 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -74.06 -31.03 62.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.489 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.93 -10.76 61.0 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' B' ' 58' ' ' LEU . 97.5 m-20 -93.16 -25.04 18.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.513 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.59 91.23 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.355 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.34 176.21 41.64 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.26 117.71 12.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.719 0.295 . . . . 0.0 110.63 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.45 -0.25 81.42 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -103.06 147.6 26.77 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.649 0.261 . . . . 0.0 110.471 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.4 mmm -76.66 140.01 40.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.636 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -88.52 -4.14 58.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -100.59 115.89 42.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.64 ' O ' HG23 ' B' ' 75' ' ' VAL . 14.9 p -129.41 164.24 24.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.548 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.6 mt -59.78 -45.25 92.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.57 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.607 HG13 HG21 ' B' ' 8' ' ' VAL . 67.3 t -63.49 -46.83 94.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.646 -178.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' LEU . . . . . 0.402 HD22 ' CG1' ' B' ' 59' ' ' ILE . 98.5 mt -63.84 -40.13 95.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 71' ' ' SER . 55.7 t -59.97 -47.51 91.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.268 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.19 -44.71 92.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.341 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.451 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -65.16 -43.55 91.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.896 0.379 . . . . 0.0 110.41 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.5 -41.56 98.53 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.241 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.497 ' O ' HG23 ' B' ' 83' ' ' THR . 46.3 tp -57.65 -45.87 84.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.35 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -66.88 -47.22 72.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.786 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.38 -45.48 94.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -62.46 -43.39 98.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.188 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.497 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.7 p -64.36 -46.85 81.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.149 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -62.65 -49.36 75.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.59 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -57.82 -47.56 82.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.528 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.85 -45.96 91.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.151 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.5 85.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.86 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.539 ' HE ' HD12 ' B' ' 48' ' ' LEU . 8.9 tmm_? -57.87 -45.54 86.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.262 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.7 mt-10 -62.04 -43.19 99.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.198 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.62 -42.57 95.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.066 0.46 . . . . 0.0 110.034 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.509 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.7 mt -60.77 -42.14 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.217 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.7 m -58.0 -45.5 86.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.028 0.442 . . . . 0.0 109.869 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.14 -43.37 98.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.515 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.552 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 81.6 mt -59.53 -43.64 93.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.583 HD12 ' SD ' ' B' ' 41' ' ' MET . 89.9 mt -61.81 -42.72 95.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.536 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.5 ' OE2' ' NZ ' ' C' ' 30' ' ' LYS . 80.1 tt0 -61.52 -39.4 90.88 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' B' ' 97' ' ' LEU . 34.8 mt -61.38 -41.18 96.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.83 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.7 m80 -59.75 -38.32 81.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' B' ' 102' ' ' LYS . 81.4 tt0 -62.23 -40.47 96.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.105 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -64.6 -38.76 92.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.201 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 101' ' ' LEU . 40.6 mt -64.02 -41.81 97.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.407 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' B' ' 99' ' ' GLU . 64.5 mttp -92.73 141.5 28.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.564 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' ALA . . . . . 0.506 ' O ' HG22 ' C' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -88.47 -76.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.588 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' C' ' 6' ' ' GLU . 47.3 tp10 -63.28 138.49 58.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.359 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.652 ' O ' HG23 ' C' ' 8' ' ' VAL . 65.5 mt -39.35 -36.7 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.408 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.73 -49.79 73.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.8 mt-10 -65.29 -36.13 83.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.25 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.506 HG22 ' O ' ' C' ' 1' ' ' ALA . 78.3 t -63.83 -42.9 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.391 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.652 HG23 ' O ' ' C' ' 4' ' ' LEU . 74.8 t -61.21 -45.55 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.021 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.36 -41.88 90.27 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.35 -41.55 99.41 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 11' ' ' LEU . 32.5 mt -63.43 -43.15 98.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.851 0.358 . . . . 0.0 110.352 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.21 -44.68 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.71 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.77 -44.5 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.042 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -61.85 -45.6 93.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.852 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 m -59.89 -44.22 94.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.202 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.54 -42.3 98.93 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -63.58 -44.79 93.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.78 -49.51 76.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.574 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 69.0 ttt180 -61.05 -45.21 95.67 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 40.1 t -56.23 -44.21 79.38 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.62 -41.61 97.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.696 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.511 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.37 -47.78 80.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.0 m-85 -59.29 -42.41 91.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.523 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.55 89.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.722 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.59 90.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.6 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -62.02 -44.73 96.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.41 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -55.16 -42.94 73.76 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -60.15 -41.07 91.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.939 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.1 93.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.788 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' LYS . . . . . 0.5 ' NZ ' ' OE2' ' B' ' 96' ' ' GLU . 68.0 mttm -61.28 -30.07 70.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.064 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -80.11 -4.01 51.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.467 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.24 13.2 79.42 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -95.73 81.25 3.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.758 0.313 . . . . 0.0 110.202 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -64.98 -34.48 78.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.578 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.95 81.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.018 0.437 . . . . 0.0 110.695 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.8 -35.82 81.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.344 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.25 -48.23 79.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.515 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.42 -44.17 96.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.634 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.88 99.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.8 mmm -65.56 -42.19 92.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.586 ' SD ' HD12 ' C' ' 95' ' ' ILE . 74.2 mtm -64.02 -41.26 97.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.606 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.09 -45.64 92.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.396 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.76 -41.72 97.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.288 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -60.27 -45.77 92.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.531 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.71 -42.33 97.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.364 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.61 -43.54 97.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.282 0.563 . . . . 0.0 110.563 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.51 99.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.313 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.517 HD12 ' HE ' ' C' ' 88' ' ' ARG . 89.2 mt -65.28 -40.59 94.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.721 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -60.95 -41.29 96.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.347 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.41 -40.31 93.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.033 0.444 . . . . 0.0 110.028 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.9 85.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.486 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.05 -38.15 90.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.261 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.11 -43.78 98.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.286 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 66.2 t -65.14 -44.27 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.062 0.458 . . . . 0.0 110.016 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.435 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 67.4 tp60 -60.67 -43.65 97.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.188 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.596 HG21 HG22 ' D' ' 356' ' ' THR . 19.6 m -59.57 -41.98 91.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.136 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.32 -34.12 73.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.912 0.387 . . . . 0.0 110.526 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' C' ' 62' ' ' ASP . 90.3 mt -71.84 -59.97 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.819 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.4 ' CG1' HD22 ' C' ' 74' ' ' LEU . 69.1 mt -56.34 -36.88 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.825 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.603 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 70.1 mm-40 -74.07 -31.09 62.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.43 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.06 -10.59 61.0 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 62' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' C' ' 58' ' ' LEU . 97.3 m-20 -93.13 -25.05 18.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.894 0.378 . . . . 0.0 110.5 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 63' ' ' ALA . . . . . 0.588 ' O ' HG22 ' D' ' 352' ' ' THR . . . -77.54 91.19 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.44 176.02 41.31 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 65' ' ' GLU . . . . . 0.549 ' OE2' ' NZ ' ' D' ' 349' ' ' LYS . 97.7 mt-10 -70.16 117.15 11.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.326 . . . . 0.0 110.622 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.91 -0.3 83.11 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -103.02 147.37 27.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.617 0.246 . . . . 0.0 110.592 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 98.2 mmm -76.51 140.05 41.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.624 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -88.58 -4.23 58.63 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -100.11 115.63 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.702 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.647 ' O ' HG23 ' C' ' 75' ' ' VAL . 14.2 p -128.3 166.5 18.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.562 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.38 -44.53 97.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.666 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.576 HG13 HG21 ' C' ' 8' ' ' VAL . 61.2 t -64.77 -47.33 89.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 130.068 3.347 . . . . 0.0 110.641 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 74' ' ' LEU . . . . . 0.4 HD22 ' CG1' ' C' ' 59' ' ' ILE . 96.3 mt -65.65 -40.2 92.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.027 0.441 . . . . 0.0 110.94 177.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.647 HG23 ' O ' ' C' ' 71' ' ' SER . 55.7 t -59.97 -47.87 90.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.2 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -59.43 -44.73 92.83 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.329 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.435 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -65.24 -43.18 92.21 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.92 0.39 . . . . 0.0 110.474 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.79 -41.49 97.93 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.272 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.492 ' O ' HG23 ' C' ' 83' ' ' THR . 46.0 tp -57.58 -46.24 84.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.46 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -66.58 -47.17 73.61 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.737 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.59 -45.47 93.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.809 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.37 -43.24 99.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.31 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.492 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.7 p -64.54 -46.79 81.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.166 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.76 -49.13 76.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.539 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.83 -47.86 81.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.632 0.253 . . . . 0.0 110.499 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.93 -45.63 92.86 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.18 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.22 -47.61 84.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.946 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.517 ' HE ' HD12 ' C' ' 48' ' ' LEU . 8.9 tmm_? -57.76 -45.87 85.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.221 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.51 -43.56 98.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.199 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.5 -42.74 95.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.471 . . . . 0.0 109.981 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.511 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.9 mt -60.43 -42.33 90.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.384 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 91.0 m -57.54 -45.92 84.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.09 0.471 . . . . 0.0 109.966 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.93 -43.43 98.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.457 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.553 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.6 mt -59.42 -43.42 93.05 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 95' ' ' ILE . . . . . 0.586 HD12 ' SD ' ' C' ' 41' ' ' MET . 90.0 mt -62.01 -42.94 96.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.557 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.04 -39.3 89.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.076 0.465 . . . . 0.0 109.765 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.46 -41.53 97.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.88 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.553 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.4 m80 -59.54 -38.11 80.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.705 179.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.4 tt0 -62.49 -40.46 96.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.133 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -64.42 -39.0 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.189 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.89 -41.91 97.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.367 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 102' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' C' ' 99' ' ' GLU . 64.4 mttp -92.46 141.9 28.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.513 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.493 -179.873 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.532 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 121.886 0.85 . . . . 0.0 108.978 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.453 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.76 143.07 36.78 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.33 38.55 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.96 -1.087 . . . . 0.0 109.531 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.22 149.14 28.4 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.92 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.001 -1.062 . . . . 0.0 108.371 178.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.88 144.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.76 136.55 37.15 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 122.202 1.001 . . . . 0.0 110.082 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.83 114.25 24.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.87 -4.3 19.36 Favored 'General case' 0 C--N 1.265 -3.104 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.794 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.45 141.88 86.02 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.65 -1.906 . . . . 0.0 110.628 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.56 -47.67 13.03 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 124.759 3.639 . . . . 0.0 114.188 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 312' ' ' ASN . . . . . 0.548 HD21 ' CD2' ' D' ' 315' ' ' HIS . 22.7 p30 -102.15 27.54 6.57 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 116.048 -2.261 . . . . 0.0 108.754 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.16 -145.61 44.0 Favored Glycine 0 N--CA 1.496 2.67 0 C-N-CA 117.677 -2.202 . . . . 0.0 109.605 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.0 tp -88.42 79.7 7.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.932 -1.334 . . . . 0.0 109.562 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 315' ' ' HIS . . . . . 0.548 ' CD2' HD21 ' D' ' 312' ' ' ASN . 2.7 p80 -76.32 177.32 7.38 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 117.834 -1.547 . . . . 0.0 112.118 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 77.7 p -36.32 -69.43 0.11 Allowed 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 117.291 2.33 . . . . 0.0 117.291 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 6.9 tmm_? -56.49 -52.32 74.2 Favored Pre-proline 0 N--CA 1.493 1.69 0 C-N-CA 120.071 -0.651 . . . . 0.0 112.542 -176.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.21 -32.17 62.99 Favored 'Trans proline' 0 C--N 1.318 -1.066 0 CA-C-N 119.503 0.858 . . . . 0.0 111.557 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.501 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.05 -38.76 86.39 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.481 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.74 72.56 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.97 -39.36 93.96 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 118.003 -1.479 . . . . 0.0 109.485 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.71 -45.3 93.36 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 122.63 1.205 . . . . 0.0 108.705 -177.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 319' ' ' ALA . 61.7 t -62.68 -42.18 95.1 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.668 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.86 -40.24 96.08 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.311 -0.868 . . . . 0.0 109.819 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.8 -39.72 79.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.418 -0.801 . . . . 0.0 109.571 177.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.93 92.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.611 -1.306 . . . . 0.0 109.463 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.27 -16.29 44.0 Favored 'General case' 0 N--CA 1.511 2.595 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.58 86.07 Favored Glycine 0 N--CA 1.479 1.505 0 O-C-N 119.91 -1.744 . . . . 0.0 109.317 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.4 32.76 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.377 -1.66 . . . . 0.0 110.034 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.3 p -75.59 -30.14 59.52 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.188 -0.945 . . . . 0.0 112.316 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.76 158.5 10.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 119.772 -1.83 . . . . 0.0 112.836 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.582 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.88 130.21 35.4 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 102.87 -3.011 . . . . 0.0 102.87 171.228 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.69 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-O 122.171 0.986 . . . . 0.0 109.358 -178.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.9 143.21 50.97 Favored 'General case' 0 C--N 1.284 -2.239 0 CA-C-O 123.027 1.394 . . . . 0.0 110.013 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.7 t -108.17 129.94 61.58 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.762 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 173.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.46 119.58 26.43 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.858 -1.151 . . . . 0.0 108.927 -178.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.59 122.61 39.27 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.847 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.3 t30 51.77 38.98 24.53 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.88 -1.138 . . . . 0.0 112.698 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.05 83.58 Favored Glycine 0 N--CA 1.501 3.012 0 O-C-N 119.963 -1.711 . . . . 0.0 112.558 177.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.85 136.26 54.56 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.72 158.57 32.92 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-O 123.751 1.739 . . . . 0.0 112.449 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.41 31.34 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 112.512 -2.131 . . . . 0.0 108.566 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.6 136.0 48.88 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 173.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.442 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.0 -6.84 48.14 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.656 -1.277 . . . . 0.0 110.704 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.45 12.93 31.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.591 -1.318 . . . . 0.0 109.361 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.9 t -133.01 104.18 6.41 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.16 0.981 . . . . 0.0 110.153 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.593 HD21 ' NZ ' ' C' ' 69' ' ' LYS . 58.2 tp -57.29 -37.84 73.05 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.967 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -58.94 -51.42 70.13 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.603 -1.311 . . . . 0.0 113.02 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -69.99 -32.42 70.61 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 119.543 -1.973 . . . . 0.0 109.239 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.82 -33.72 75.81 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 118.926 -1.11 . . . . 0.0 109.982 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.475 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 59.9 tt0 -67.7 -10.44 52.38 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.598 -0.688 . . . . 0.0 109.893 -177.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.6 p -89.76 -7.69 53.89 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 118.097 -1.441 . . . . 0.0 110.973 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.44 159.3 15.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.204 -0.935 . . . . 0.0 110.132 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.77 2.96 Favored Glycine 0 N--CA 1.484 1.881 0 N-CA-C 107.003 -2.439 . . . . 0.0 107.003 177.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.56 47.51 1.7 Allowed 'General case' 0 C--N 1.309 -1.154 0 O-C-N 120.657 -1.496 . . . . 0.0 107.421 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 57.9 p -81.56 172.45 13.45 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.174 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -60.61 140.91 57.22 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.294 -0.962 . . . . 0.0 109.889 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.45 -3.25 78.95 Favored Glycine 0 N--CA 1.501 3.028 0 C-N-CA 119.97 -1.109 . . . . 0.0 111.34 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.43 135.93 34.06 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.894 -1.356 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.53 123.7 48.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.496 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.19 160.11 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.325 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.634 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.3 m -108.95 128.44 54.94 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.536 -1.353 . . . . 0.0 107.587 175.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.9 121.47 60.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 176.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.27 50.72 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.592 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.17 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 118.498 -1.281 . . . . 0.0 109.784 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.532 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.87 6.46 Favored 'General case' 0 C--N 1.289 -2.037 0 C-N-CA 118.541 -1.264 . . . . 0.0 108.001 178.183 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.32 40.11 Favored Glycine 0 C--N 1.296 -1.679 0 C-N-CA 118.049 -2.025 . . . . 0.0 110.341 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.37 -40.57 82.62 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 114.369 -0.916 . . . . 0.0 112.186 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.1 36.8 3.55 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 115.902 -2.319 . . . . 0.0 108.59 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.54 65.86 Favored 'General case' 0 N--CA 1.521 3.105 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 -174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.461 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.6 27.8 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 119.63 -1.919 . . . . 0.0 111.016 -176.626 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.779 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.62 -40.6 97.32 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.48 77.68 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 117.412 -1.715 . . . . 0.0 110.01 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.84 -42.22 88.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 CA-C-O 122.231 1.015 . . . . 0.0 109.244 -178.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.8 -47.98 76.18 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-O 122.042 0.925 . . . . 0.0 108.751 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.779 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.73 -38.42 76.87 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.705 -178.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.3 mt -75.59 -28.6 59.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.372 -1.455 . . . . 0.0 110.872 -174.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.52 71.46 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.2 63.29 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.34 -45.19 84.55 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 119.024 -1.071 . . . . 0.0 110.486 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.496 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.39 -37.38 85.54 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.886 -1.134 . . . . 0.0 111.529 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.81 61.7 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.055 -1.028 . . . . 0.0 110.323 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.33 45.84 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.479 -0.763 . . . . 0.0 111.325 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 384' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.12 125.54 12.5 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 124.331 2.015 . . . . 0.0 112.845 178.708 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.794 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.0 mt-10 . . . . . 0 C--N 1.277 -2.554 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.104 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.46 ' OE1' ' OE1' ' A' ' 6' ' ' GLU . 79.4 mm-40 -63.17 138.55 58.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.551 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 6' ' ' GLU . 79.7 mm-40 -60.74 129.56 42.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.458 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.2 mt -38.37 -34.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.462 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -64.53 -47.47 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 0.0 110.265 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 3' ' ' GLU . 80.7 tt0 -66.97 -36.76 82.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.262 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.525 HG11 HD11 ' A' ' 58' ' ' LEU . 71.5 t -64.28 -42.28 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.606 HG21 HG13 ' A' ' 73' ' ' VAL . 66.6 t -60.85 -45.65 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.965 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.4 mtp -58.5 -42.36 87.47 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.31 -42.62 97.71 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.0 mt -63.12 -43.27 98.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 0.0 110.24 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.418 ' O ' ' OG ' ' A' ' 15' ' ' SER . 92.6 mt -63.1 -44.84 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.754 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.06 -44.03 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.992 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.569 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 53.0 t-20 -60.49 -45.89 92.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.848 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 12' ' ' ILE . 78.9 p -59.96 -43.97 94.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.943 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.54 -41.84 99.07 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.501 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.9 mm-40 -62.7 -43.27 99.22 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.562 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.75 -48.64 80.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.824 179.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -61.06 -46.49 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.3 p -56.28 -43.29 78.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.04 -41.56 98.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.654 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -57.03 -48.14 79.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.11 -41.51 92.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.673 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.76 97.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.755 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.33 87.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.677 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.14 -44.89 96.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.474 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -55.35 -42.83 74.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -60.6 -41.47 94.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.781 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.68 94.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.727 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.61 -29.22 69.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.134 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -80.02 -4.34 52.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.02 12.56 76.55 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.01 80.05 3.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.75 0.31 . . . . 0.0 110.3 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -64.49 -34.84 79.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.645 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -47.73 81.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.051 0.453 . . . . 0.0 110.692 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.92 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.383 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.32 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.534 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.24 -43.62 98.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.629 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.39 99.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.32 -41.02 94.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.47 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.44 ' O ' ' OG ' ' A' ' 44' ' ' SER . 4.8 mmt -62.69 -41.07 98.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.56 -43.85 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.975 0.417 . . . . 0.0 110.531 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.77 -41.5 97.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.24 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.27 -45.74 93.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.566 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.92 -42.61 98.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.329 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.79 -43.08 99.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.223 0.535 . . . . 0.0 110.51 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.61 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.272 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.681 HD12 ' HE ' ' A' ' 88' ' ' ARG . 91.0 mt -65.57 -40.03 92.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.68 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -61.07 -41.98 97.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.252 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.47 -39.71 92.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.266 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.8 -43.46 83.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.51 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -64.26 -37.36 87.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.367 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.74 -43.1 99.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.304 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.16 -43.01 97.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.052 0.453 . . . . 0.0 110.001 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.467 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 67.2 tp60 -61.16 -41.12 96.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.186 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.4 m -56.51 -44.5 80.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.953 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.7 -39.68 94.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.527 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.525 HD11 HG11 ' A' ' 7' ' ' VAL . 93.7 mt -65.28 -30.7 71.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.719 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.87 -33.8 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.84 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -82.17 -8.95 59.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.527 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.74 165.85 36.56 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.85 139.16 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 110.556 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.76 140.5 53.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.535 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.74 -177.59 52.02 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.67 118.44 12.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.81 0.338 . . . . 0.0 110.685 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.69 -3.94 78.72 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.43 136.53 38.44 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.701 0.286 . . . . 0.0 110.492 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtt -99.78 -94.52 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.568 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -108.98 -30.41 8.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.914 0.388 . . . . 0.0 110.912 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.43 150.2 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.72 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.509 ' O ' HG23 ' A' ' 75' ' ' VAL . 86.2 p -129.48 163.71 25.29 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 72' ' ' LEU . 36.9 mt -57.51 -44.39 85.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.667 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.606 HG13 HG21 ' A' ' 8' ' ' VAL . 55.3 t -63.0 -46.95 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.551 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.82 -40.89 98.8 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 71' ' ' SER . 53.0 t -60.19 -47.56 91.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.235 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -58.79 -47.1 85.93 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.302 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.467 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.02 -43.19 96.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.18 -41.64 99.24 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.106 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 83' ' ' THR . 41.6 tp -57.0 -47.02 81.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.34 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -66.84 -46.92 73.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.755 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.65 -45.29 93.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.83 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.0 -44.6 96.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.195 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.4 p -63.46 -46.55 85.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.12 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.75 -48.0 81.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.421 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -59.03 -48.88 80.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.512 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.4 -45.22 95.24 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.098 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.08 83.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.871 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.681 ' HE ' HD12 ' A' ' 48' ' ' LEU . 7.9 tmm_? -58.96 -45.05 91.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.134 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.12 -46.69 87.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.109 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 90' ' ' LEU . 95.7 mt -64.93 -42.68 94.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.126 0.488 . . . . 0.0 109.883 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.498 HD13 ' HB1' ' A' ' 22' ' ' ALA . 67.4 mt -60.21 -42.07 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.23 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -57.86 -45.22 86.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.047 0.451 . . . . 0.0 109.854 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.32 -42.19 99.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.631 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.5 mt -59.98 -42.83 95.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.33 -42.97 95.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.495 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.47 -38.85 85.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.488 HD21 ' NE2' ' B' ' 98' ' ' HIS . 39.7 mt -62.42 -40.76 97.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.875 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.8 m80 -59.42 -41.09 88.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -58.8 -40.47 84.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.183 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.9 -33.67 75.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.194 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.27 -8.28 59.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.6 tttp 72.24 15.28 5.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.514 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.547 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.461 ' OE1' ' OE1' ' B' ' 6' ' ' GLU . 79.5 mm-40 -63.52 138.2 58.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.602 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.4 mm-40 -60.13 129.54 42.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.499 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.605 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.0 mt -38.19 -34.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -64.46 -47.35 79.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.414 . . . . 0.0 110.385 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.3 tt0 -67.03 -36.8 82.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.211 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.512 HG11 HD11 ' B' ' 58' ' ' LEU . 70.2 t -64.24 -42.57 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.318 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 4' ' ' LEU . 67.7 t -60.58 -45.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.88 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -58.94 -42.15 89.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.57 -42.65 97.31 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' B' ' 11' ' ' LEU . 36.9 mt -63.0 -43.28 99.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.771 0.32 . . . . 0.0 110.312 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.29 -44.93 99.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.661 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.78 -44.31 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.905 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ASN . . . . . 0.571 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 53.1 t-20 -60.35 -45.86 91.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.799 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -59.88 -44.29 94.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.06 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.34 -41.65 99.4 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.441 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.9 mm-40 -62.78 -43.41 98.86 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.552 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.7 -48.23 81.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.942 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -61.14 -46.51 90.24 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.2 p -56.52 -43.01 79.38 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.12 -41.76 98.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.693 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -56.96 -48.23 78.86 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -60.16 -41.35 92.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.7 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.07 96.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.667 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.01 -44.04 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.627 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.21 -45.32 95.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.345 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -55.18 -42.73 73.57 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.51 -41.82 95.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.906 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.97 93.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.742 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.31 -29.62 69.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.071 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.91 -4.49 52.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.432 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.44 12.11 76.36 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -95.82 79.99 3.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.336 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -64.43 -34.93 79.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.28 80.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 110.798 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.28 80.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.39 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.38 -48.17 79.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.596 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.33 -43.62 98.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.51 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.29 99.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.7 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.37 -41.31 93.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.507 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.443 ' O ' ' OG ' ' B' ' 44' ' ' SER . 4.8 mmt -62.32 -41.4 98.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.629 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.45 -44.0 97.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.42 -41.59 98.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.28 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.3 p -61.36 -46.06 91.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -60.52 -42.57 96.73 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.316 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.85 -43.07 99.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.331 0.586 . . . . 0.0 110.646 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.28 98.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.151 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.669 HD12 ' HE ' ' B' ' 88' ' ' ARG . 90.2 mt -65.82 -40.25 91.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.736 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -61.03 -41.87 97.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.295 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.4 -40.04 92.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.17 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.571 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.7 -43.19 85.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.482 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -64.37 -37.64 88.23 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.247 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.2 mt -61.41 -43.43 98.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.351 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.86 -43.46 97.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.043 0.449 . . . . 0.0 109.972 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.473 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 67.5 tp60 -60.52 -41.32 94.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.312 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.7 m -56.66 -44.26 81.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.926 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.85 -39.55 94.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.881 0.372 . . . . 0.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.512 HD11 HG11 ' B' ' 7' ' ' VAL . 93.8 mt -65.3 -30.8 71.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.69 -33.83 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.8 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -82.33 -8.76 59.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.521 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.65 165.38 36.96 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.67 138.63 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.525 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.3 141.04 54.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.42 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.11 -177.82 52.07 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.52 118.44 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.56 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.94 -4.28 78.21 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -97.88 137.73 36.29 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.617 0.246 . . . . 0.0 110.506 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtt -101.09 -94.07 0.28 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.694 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -109.25 -30.3 8.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.971 0.415 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 p -129.0 149.71 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.786 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.537 ' O ' HG23 ' B' ' 75' ' ' VAL . 91.0 p -128.99 165.14 21.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.587 -178.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.74 -44.05 93.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.592 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.586 HG13 HG21 ' B' ' 8' ' ' VAL . 52.2 t -62.31 -46.26 96.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.545 -178.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.14 -40.36 97.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 71' ' ' SER . 59.7 t -60.44 -48.31 88.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.25 -179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.32 -46.86 85.38 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.325 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.473 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -64.21 -42.87 96.42 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.87 0.367 . . . . 0.0 110.439 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.45 -41.74 98.64 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.29 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.452 ' O ' HG23 ' B' ' 83' ' ' THR . 42.3 tp -56.97 -46.86 81.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.402 -179.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -66.9 -47.07 72.93 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.751 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.74 -45.17 93.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -62.04 -44.6 96.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.268 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.452 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.6 p -63.2 -46.36 87.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.169 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -62.81 -48.34 79.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.2 ttp -58.81 -48.92 79.62 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.511 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.29 -45.64 93.63 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.168 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.36 81.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.874 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.669 ' HE ' HD12 ' B' ' 48' ' ' LEU . 8.0 tmm_? -58.55 -45.48 88.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.282 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.67 -46.44 89.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.169 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 90' ' ' LEU . 94.2 mt -65.35 -42.2 93.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.169 0.509 . . . . 0.0 110.065 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.498 HD13 ' HB1' ' B' ' 22' ' ' ALA . 67.5 mt -60.79 -41.97 90.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.221 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.7 -45.71 85.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.068 0.461 . . . . 0.0 109.901 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.83 -42.23 98.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.534 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 15.0 mt -60.06 -42.83 95.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.32 -42.95 95.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.504 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.36 -39.1 86.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.486 HD21 ' NE2' ' C' ' 98' ' ' HIS . 39.3 mt -62.32 -40.75 97.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.823 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.9 m80 -59.34 -41.28 88.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.54 -40.59 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.042 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.02 -33.47 75.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.188 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.404 HD21 HD21 ' C' ' 101' ' ' LEU . 50.0 mt -82.23 -8.42 59.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.398 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 38.8 tttp 72.42 14.59 5.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.555 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.4 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.562 179.938 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' GLU . . . . . 0.473 ' OE1' ' OE1' ' C' ' 6' ' ' GLU . 79.6 mm-40 -63.96 138.19 58.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.637 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.3 mm-40 -59.87 129.71 43.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.388 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.611 ' O ' HG23 ' C' ' 8' ' ' VAL . 98.0 mt -38.43 -35.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.432 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.2 -47.79 78.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 110.332 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.473 ' OE1' ' OE1' ' C' ' 2' ' ' GLU . 81.4 tt0 -66.71 -36.79 83.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.33 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.516 HG11 HD11 ' C' ' 58' ' ' LEU . 71.8 t -64.07 -42.42 95.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.296 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.611 HG23 ' O ' ' C' ' 4' ' ' LEU . 68.5 t -60.93 -45.26 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.987 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.9 mtp -58.96 -42.1 89.07 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.5 97.43 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' C' ' 11' ' ' LEU . 36.9 mt -63.25 -43.21 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.391 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.407 ' O ' ' OG ' ' C' ' 15' ' ' SER . 93.2 mt -63.34 -44.56 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.742 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.81 -44.49 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.011 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ASN . . . . . 0.578 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 52.8 t-20 -60.42 -45.8 92.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.853 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 15' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' C' ' 12' ' ' ILE . 78.7 p -59.79 -44.0 94.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.195 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.59 -41.72 99.05 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' GLN . . . . . 0.456 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -62.89 -42.81 99.91 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.557 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -59.5 -48.04 83.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -61.51 -46.45 89.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.5 p -56.24 -43.42 78.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 74.3 mt -61.99 -41.52 98.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.685 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.477 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -57.11 -48.14 79.36 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -60.16 -41.53 92.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.557 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.76 97.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.67 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -43.84 87.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.584 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.64 -44.82 96.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.425 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -55.7 -42.34 75.09 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.93 -41.46 96.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.88 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.74 94.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.833 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.64 -29.36 70.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.009 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -79.91 -4.58 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.447 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.33 12.87 75.01 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.28 79.93 3.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.73 0.3 . . . . 0.0 110.298 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -64.48 -34.93 79.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.556 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.24 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.091 0.472 . . . . 0.0 110.634 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.06 82.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.378 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.93 -48.12 80.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.53 -43.53 98.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.607 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.36 99.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.45 -41.27 93.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.419 ' O ' ' OG ' ' C' ' 44' ' ' SER . 4.8 mmt -62.3 -41.3 98.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.614 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.51 -44.06 97.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.479 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.22 -41.85 99.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.341 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.8 p -61.14 -46.07 92.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.5 -42.6 96.67 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.318 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.88 -42.95 99.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.298 0.571 . . . . 0.0 110.556 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.65 99.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.327 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.683 HD12 ' HE ' ' C' ' 88' ' ' ARG . 91.1 mt -65.67 -40.45 92.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 49' ' ' ASN . . . . . 0.4 ' C ' ' OD1' ' C' ' 49' ' ' ASN . 52.6 t-20 -60.86 -42.11 97.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.97 -40.31 94.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.03 0.443 . . . . 0.0 110.06 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 51' ' ' ALA . . . . . 0.578 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.45 -43.77 84.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.456 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' D' ' 312' ' ' ASN . 12.8 t-80 -63.96 -37.45 87.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.28 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 53' ' ' LEU . 37.4 mt -61.76 -43.14 99.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.329 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.83 -43.47 97.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 0.0 109.981 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.474 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 66.8 tp60 -60.75 -41.12 94.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.326 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 78.1 m -56.6 -44.29 80.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.104 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.89 -39.4 94.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.502 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.516 HD11 HG11 ' C' ' 7' ' ' VAL . 94.5 mt -65.41 -30.54 71.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.755 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.98 -33.71 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.475 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.1 mm-40 -82.31 -8.93 59.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.472 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.51 165.81 35.7 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.8 138.72 58.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.835 0.35 . . . . 0.0 110.513 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.34 140.74 54.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.477 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.01 -177.97 52.18 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -69.26 118.78 12.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.737 0.303 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.36 -3.99 79.93 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.21 137.55 36.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.653 0.263 . . . . 0.0 110.546 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtt -101.22 -93.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.553 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.593 ' NZ ' HD21 ' D' ' 347' ' ' LEU . 88.5 tttt -109.58 -30.47 7.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.71 149.09 33.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.759 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.544 ' O ' HG23 ' C' ' 75' ' ' VAL . 92.8 p -127.4 167.63 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.557 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 72' ' ' LEU . 20.9 mt -61.71 -43.1 99.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.658 -177.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.516 HG13 HG21 ' C' ' 8' ' ' VAL . 49.7 t -63.6 -46.41 94.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 130.069 3.348 . . . . 0.0 110.597 -178.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.47 -40.06 92.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.077 0.465 . . . . 0.0 110.977 177.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.544 HG23 ' O ' ' C' ' 71' ' ' SER . 58.9 t -60.58 -48.47 88.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.239 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.67 -47.0 85.97 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.34 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 77' ' ' ALA . . . . . 0.474 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -64.29 -42.93 96.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.835 0.35 . . . . 0.0 110.362 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.47 -41.09 98.6 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.266 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.442 ' O ' HG23 ' C' ' 83' ' ' THR . 42.4 tp -57.69 -46.76 83.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.513 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -66.93 -47.0 73.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.84 -45.25 93.47 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.85 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.83 -44.4 96.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.432 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.442 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.5 p -63.6 -46.56 85.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.208 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 79.3 p -62.61 -48.0 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.588 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -58.86 -49.23 78.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.479 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.27 -45.23 95.36 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.155 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.71 -48.15 82.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.975 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.683 ' HE ' HD12 ' C' ' 48' ' ' LEU . 8.0 tmm_? -58.71 -45.48 89.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.221 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.46 -46.61 89.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.201 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.34 -42.34 93.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.155 0.502 . . . . 0.0 110.013 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.477 HD13 ' HB1' ' C' ' 22' ' ' ALA . 67.8 mt -60.44 -42.13 89.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.378 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.6 m -57.71 -45.55 85.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.081 0.467 . . . . 0.0 110.028 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.99 -42.26 98.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.472 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.533 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.8 mt -59.97 -42.87 95.07 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.28 -42.85 95.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.545 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -60.3 -39.23 86.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.717 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.06 -40.79 96.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.926 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 72.1 m80 -59.5 -41.31 89.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.695 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.72 -40.13 82.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.027 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.3 -33.33 75.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.173 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 101' ' ' LEU . . . . . 0.404 HD21 HD21 ' B' ' 101' ' ' LEU . 48.7 mt -82.42 -9.14 59.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.236 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 38.9 tttp 73.39 14.47 4.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.428 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.543 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 121.852 0.834 . . . . 0.0 109.03 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.75 142.97 36.75 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.96 156.31 38.64 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.046 -1.034 . . . . 0.0 109.643 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.21 28.5 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.27 152.32 18.99 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.076 -1.015 . . . . 0.0 108.332 178.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.56 37.08 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.113 0.958 . . . . 0.0 110.138 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.86 114.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.84 -4.34 19.37 Favored 'General case' 0 C--N 1.264 -3.116 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.803 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.84 85.83 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 119.65 -1.906 . . . . 0.0 110.628 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -45.58 -47.59 13.18 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 124.783 3.656 . . . . 0.0 114.121 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -102.12 27.45 6.63 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 116.178 -2.209 . . . . 0.0 108.787 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.39 -142.53 46.81 Favored Glycine 0 N--CA 1.497 2.722 0 C-N-CA 117.671 -2.204 . . . . 0.0 109.591 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.9 tp -88.77 75.84 8.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.952 -1.323 . . . . 0.0 109.495 -177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -69.8 176.31 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 117.861 -1.536 . . . . 0.0 112.133 -178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.543 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.4 p -39.47 -67.19 0.23 Allowed 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 117.196 2.295 . . . . 0.0 117.196 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.543 ' N ' ' OG1' ' D' ' 316' ' ' THR . 7.8 tmm_? -57.24 -51.61 80.43 Favored Pre-proline 0 N--CA 1.493 1.692 0 C-N-CA 120.176 -0.61 . . . . 0.0 112.494 -177.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.9 Cg_endo -64.27 -32.19 62.3 Favored 'Trans proline' 0 C--N 1.317 -1.104 0 C-N-CA 120.568 0.845 . . . . 0.0 111.477 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.488 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.01 -38.83 86.67 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.252 -0.905 . . . . 0.0 109.489 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.474 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.87 -39.79 72.68 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.89 -39.44 94.19 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 117.987 -1.485 . . . . 0.0 109.533 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.31 93.36 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.526 1.155 . . . . 0.0 108.643 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.488 HG23 ' O ' ' D' ' 319' ' ' ALA . 58.0 t -62.7 -42.25 95.4 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.319 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.611 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 324' ' ' LYS . . . . . 0.517 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.1 mttt -63.88 -40.25 96.1 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.174 -0.954 . . . . 0.0 109.8 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.79 80.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.424 -0.798 . . . . 0.0 109.555 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.0 -44.0 91.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.559 -1.338 . . . . 0.0 109.454 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.27 -16.22 43.27 Favored 'General case' 0 N--CA 1.511 2.576 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.67 86.01 Favored Glycine 0 N--CA 1.479 1.502 0 O-C-N 119.838 -1.789 . . . . 0.0 109.299 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.401 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.44 143.37 32.79 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.224 -1.751 . . . . 0.0 109.979 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.61 -30.11 59.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.278 -0.889 . . . . 0.0 112.302 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.83 158.51 10.42 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.716 -1.865 . . . . 0.0 112.827 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.581 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.81 130.22 35.47 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 102.84 -3.022 . . . . 0.0 102.84 171.251 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.71 136.59 60.38 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-O 122.23 1.014 . . . . 0.0 109.313 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.9 143.13 51.01 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-O 123.065 1.412 . . . . 0.0 110.024 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.1 t -108.03 129.91 61.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.717 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 173.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.48 119.58 26.4 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.731 -1.231 . . . . 0.0 108.972 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.54 122.59 39.26 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.495 -0.753 . . . . 0.0 109.918 177.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.4 t30 51.71 39.0 24.38 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.888 -1.133 . . . . 0.0 112.823 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.62 11.03 83.57 Favored Glycine 0 N--CA 1.502 3.085 0 O-C-N 119.942 -1.724 . . . . 0.0 112.492 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.9 136.21 54.59 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.69 158.53 32.98 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-O 123.738 1.732 . . . . 0.0 112.468 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.69 151.4 31.4 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 112.579 -2.101 . . . . 0.0 108.634 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.61 136.0 48.85 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.436 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.81 47.94 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.685 -1.259 . . . . 0.0 110.668 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.49 12.97 31.53 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.665 -1.272 . . . . 0.0 109.381 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 98.8 p -133.1 104.19 6.39 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 122.253 1.025 . . . . 0.0 110.183 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.538 HD21 ' NZ ' ' C' ' 69' ' ' LYS . 53.9 tp -57.29 -37.86 73.08 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.934 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -58.85 -51.36 70.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.56 -1.337 . . . . 0.0 113.117 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.02 -32.5 70.69 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 119.625 -1.922 . . . . 0.0 109.232 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.68 -33.8 75.8 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.974 -177.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.534 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 10.6 tp-100 -67.65 -10.47 52.54 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.641 -0.662 . . . . 0.0 109.929 -177.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 352' ' ' THR . . . . . 0.461 ' C ' ' OE1' ' C' ' 60' ' ' GLU . 36.1 p -89.8 -7.69 53.79 Favored 'General case' 0 N--CA 1.502 2.157 0 C-N-CA 118.091 -1.444 . . . . 0.0 110.94 -178.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 353' ' ' LEU . . . . . 0.423 ' O ' ' CD ' ' C' ' 60' ' ' GLU . 97.4 mt -93.36 159.3 15.32 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.227 -0.921 . . . . 0.0 110.159 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.85 2.97 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 106.9 -2.48 . . . . 0.0 106.9 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.4 mt -119.62 47.37 1.73 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.708 -1.466 . . . . 0.0 107.425 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 356' ' ' THR . . . . . 0.699 HG22 HG21 ' C' ' 56' ' ' THR . 2.7 p -81.37 172.56 13.41 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.226 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -60.75 140.91 57.4 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.28 -0.968 . . . . 0.0 109.9 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.04 78.91 Favored Glycine 0 N--CA 1.501 2.995 0 C-N-CA 120.069 -1.063 . . . . 0.0 111.338 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.5 135.92 34.03 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.881 -1.364 . . . . 0.0 110.581 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.4 t -96.5 123.78 48.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.483 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.23 160.0 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.277 0 C-N-CA 117.422 -1.711 . . . . 0.0 110.693 178.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.87 128.38 54.86 Favored 'General case' 0 C--O 1.214 -0.816 0 O-C-N 120.55 -1.344 . . . . 0.0 107.594 175.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.89 121.42 60.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.24 50.71 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 -179.569 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.4 47.19 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 118.557 -1.257 . . . . 0.0 109.82 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.73 6.4 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 118.577 -1.249 . . . . 0.0 108.051 178.219 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.27 40.15 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 118.018 -2.039 . . . . 0.0 110.357 178.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.37 -40.58 82.69 Favored 'General case' 0 C--N 1.276 -2.63 0 CA-C-N 114.399 -0.901 . . . . 0.0 112.262 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -114.03 36.78 3.54 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 115.853 -2.339 . . . . 0.0 108.612 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.51 65.82 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.483 ' HG2' ' H ' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.9 -45.63 27.32 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 119.567 -1.958 . . . . 0.0 110.966 -176.586 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.77 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.54 -40.68 97.64 Favored 'General case' 0 C--N 1.283 -2.295 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.46 77.79 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 117.449 -1.7 . . . . 0.0 110.038 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.4 t -66.89 -42.24 88.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.242 1.02 . . . . 0.0 109.237 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.88 -47.91 76.54 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 121.992 0.901 . . . . 0.0 108.701 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.77 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.76 -38.29 76.71 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.769 -178.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.4 mt -75.6 -28.62 58.95 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.346 -1.471 . . . . 0.0 110.865 -174.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.45 70.58 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.394 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.19 63.43 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.3 -45.22 84.37 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.029 -1.069 . . . . 0.0 110.501 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.483 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.37 -37.39 85.53 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.933 -1.104 . . . . 0.0 111.472 -177.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.84 61.7 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.124 -0.985 . . . . 0.0 110.254 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.9 -32.2 45.65 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.521 -0.737 . . . . 0.0 111.362 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.15 125.51 12.48 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.354 2.026 . . . . 0.0 112.852 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.803 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.0 mm-40 . . . . . 0 C--N 1.277 -2.553 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.13 -177.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -57.67 -36.26 71.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.481 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.8 mt-10 -58.58 -76.23 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.414 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.643 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.8 mt -37.91 -38.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.431 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -65.07 -47.22 78.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.882 0.372 . . . . 0.0 110.268 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 3' ' ' GLU . 80.0 tt0 -67.54 -36.8 81.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 58' ' ' LEU . 82.2 t -64.07 -42.01 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.422 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 4' ' ' LEU . 71.2 t -60.39 -44.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.929 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.9 mtp -59.49 -41.08 89.01 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.32 -41.69 98.07 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.16 -43.05 99.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.879 0.371 . . . . 0.0 110.247 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.17 -43.99 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.517 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 86.8 mt -63.48 -44.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.944 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -61.43 -45.68 93.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.722 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -60.38 -43.8 96.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.018 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.37 -42.17 97.8 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.5 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.7 mm-40 -64.17 -42.81 96.56 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.69 -48.88 79.6 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -61.18 -47.39 86.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.8 p -54.32 -44.78 72.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.02 -42.66 99.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.706 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.585 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -58.79 -50.25 74.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.34 -42.35 91.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.564 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.11 93.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.738 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.47 -42.54 87.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.618 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.34 -45.18 95.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.459 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' OE1' ' A' ' 31' ' ' GLN . 66.1 tttm -55.91 -42.21 75.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.65 -41.69 95.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.774 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.72 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.715 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.15 -29.24 69.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.124 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.489 ' OE1' ' NZ ' ' A' ' 27' ' ' LYS . 27.3 mt-30 -79.52 -4.51 51.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.389 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 12.51 76.39 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -96.04 79.79 3.25 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.73 0.3 . . . . 0.0 110.299 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -64.25 -35.0 79.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.711 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.82 -48.53 78.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.068 0.461 . . . . 0.0 110.69 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.21 -35.06 79.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.321 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.39 -48.02 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.515 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -42.27 98.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.347 . . . . 0.0 110.651 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.3 -42.34 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.77 -40.66 92.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.5 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.439 ' SD ' ' CD1' ' A' ' 95' ' ' ILE . 92.5 mmm -63.32 -41.12 98.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.645 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.84 -43.97 97.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.581 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.68 -40.91 97.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.205 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -61.25 -46.56 89.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.53 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -60.37 -42.05 95.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.265 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtt -61.78 -42.1 98.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.238 0.542 . . . . 0.0 110.624 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.56 98.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.16 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.518 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 99.4 mt -65.22 -39.92 93.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.647 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.04 -41.6 96.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.839 0.352 . . . . 0.0 110.312 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -64.9 -40.63 95.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.157 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.61 82.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.429 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.27 -38.22 88.5 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.394 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.6 -42.78 99.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.343 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.57 -43.72 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.043 0.449 . . . . 0.0 110.018 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -60.33 -42.13 94.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.4 m -56.89 -43.34 81.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.119 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -62.99 -39.38 94.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.572 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.506 HD11 HG11 ' A' ' 7' ' ' VAL . 96.2 mt -63.74 -29.75 70.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.641 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.9 -31.65 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -83.06 -9.24 59.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.465 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.46 162.6 51.95 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.09 138.96 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 0.0 110.535 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.07 142.24 54.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.26 -172.44 49.06 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.66 117.87 10.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.693 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.34 -0.54 81.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -100.4 137.84 38.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.669 0.271 . . . . 0.0 110.475 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.44 ' SD ' ' OE2' ' B' ' 5' ' ' GLU . 64.6 ttp -110.66 -86.37 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -108.77 -36.67 6.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.451 HG23 ' CD2' ' B' ' 72' ' ' LEU . 21.0 m -132.59 155.52 41.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.76 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 75' ' ' VAL . 84.5 p -131.85 165.54 23.61 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 178.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.21 -43.39 82.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.599 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.509 HG13 HG21 ' A' ' 8' ' ' VAL . 55.2 t -62.74 -45.55 98.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.887 0.375 . . . . 0.0 110.544 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.88 -39.9 93.55 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-O 121.081 0.467 . . . . 0.0 110.981 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 71' ' ' SER . 53.3 t -59.34 -47.51 90.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.189 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -58.44 -45.81 87.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.776 0.322 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.21 -41.66 99.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.756 0.312 . . . . 0.0 110.694 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.69 -39.88 95.42 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.195 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 83' ' ' THR . 30.5 tp -56.74 -47.77 79.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.367 -179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -66.58 -46.33 76.34 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.739 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.16 -45.7 92.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.805 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.53 -44.13 97.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.221 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.9 p -62.98 -46.9 85.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.4 t -62.95 -47.47 83.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.418 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 31.7 ttm -58.86 -48.22 82.15 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.566 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.699 HD13 HH12 ' B' ' 19' ' ' ARG . 54.8 tp -60.97 -44.98 96.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.103 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.13 90.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.855 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.518 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 7.8 tmm_? -61.66 -45.66 93.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.064 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.63 -48.29 82.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.15 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.13 -40.82 97.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.102 0.477 . . . . 0.0 109.81 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.585 HD13 ' HB1' ' A' ' 22' ' ' ALA . 33.0 mt -60.18 -41.76 87.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.299 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.6 m -57.47 -45.81 84.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.043 0.449 . . . . 0.0 109.863 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.95 -42.27 99.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.516 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.27 -43.07 96.5 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.439 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 88.2 mt -60.9 -43.2 95.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.473 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -59.3 -38.89 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.098 0.475 . . . . 0.0 109.788 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.44 -41.12 98.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.869 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -59.3 -41.06 88.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -59.44 -41.5 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.18 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.79 -34.13 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.25 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.48 HD21 HD21 ' B' ' 101' ' ' LEU . 36.6 mt -83.67 -6.35 59.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.397 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 57.13 23.69 8.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.492 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.557 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -57.58 -36.04 71.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.582 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.9 mt-10 -58.77 -76.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.497 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.658 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.8 mt -38.19 -38.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.494 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.44 ' OE2' ' SD ' ' A' ' 68' ' ' MET . 96.1 mt-10 -65.17 -47.42 77.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.303 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' B' ' 3' ' ' GLU . 80.4 tt0 -67.42 -36.69 81.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.16 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.499 HG11 HD11 ' B' ' 58' ' ' LEU . 83.3 t -64.14 -42.0 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.362 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.658 HG23 ' O ' ' B' ' 4' ' ' LEU . 71.1 t -60.58 -44.27 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.846 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.74 -40.9 89.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.59 -41.75 97.69 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 11' ' ' LEU . 88.0 mt -63.18 -42.64 99.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.828 0.346 . . . . 0.0 110.415 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.73 -43.89 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.694 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.42 -44.21 98.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.918 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -61.43 -45.65 93.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.893 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -60.18 -44.01 95.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.101 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.24 97.89 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.505 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.6 mm-40 -63.99 -42.79 97.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.407 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.88 -48.52 81.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.906 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.699 HH12 HD13 ' A' ' 86' ' ' LEU . 63.2 ttm-85 -61.29 -47.32 86.5 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 79.3 p -54.26 -45.09 72.33 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.69 -42.7 99.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.713 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.549 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -59.1 -50.09 75.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.41 -42.14 91.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.704 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.43 94.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.704 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.52 86.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.611 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.39 -45.32 94.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.305 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.479 ' NZ ' ' OE1' ' B' ' 31' ' ' GLN . 65.8 tttm -55.92 -42.03 75.46 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.99 -41.45 96.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.876 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.52 94.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.598 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.31 -29.35 69.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.062 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.479 ' OE1' ' NZ ' ' B' ' 27' ' ' LYS . 27.2 mt-30 -79.56 -4.29 50.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.337 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.79 12.72 76.84 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -96.07 79.62 3.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.858 0.361 . . . . 0.0 110.31 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -64.27 -34.86 79.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.604 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.66 78.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 110.822 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.19 -34.9 79.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.44 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.51 -48.01 79.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.548 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.63 -42.69 99.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.849 0.357 . . . . 0.0 110.606 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.49 99.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.693 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.76 -40.34 91.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.436 ' SD ' ' CD1' ' B' ' 95' ' ' ILE . 92.4 mmm -63.65 -41.04 98.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.17 -43.6 98.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.415 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.79 -41.11 97.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.33 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.08 -46.78 89.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.433 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -60.11 -42.23 94.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.288 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 60.7 mtt -61.36 -42.65 99.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.307 0.575 . . . . 0.0 110.672 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.5 99.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.155 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.528 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 98.2 mt -65.27 -39.94 93.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.735 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.88 -41.7 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.369 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.88 -40.7 95.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.156 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.9 82.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.455 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.94 -38.68 89.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.313 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.96 -43.22 99.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.319 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.27 -44.15 97.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.036 0.446 . . . . 0.0 109.99 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -60.07 -42.15 93.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.21 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -56.89 -43.59 81.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.919 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -62.86 -39.36 94.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.934 0.397 . . . . 0.0 110.615 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.499 HD11 HG11 ' B' ' 7' ' ' VAL . 96.3 mt -63.64 -29.47 70.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.706 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.23 -31.59 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.796 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -83.2 -8.94 59.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.58 161.74 52.48 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.55 138.92 58.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.847 0.356 . . . . 0.0 110.465 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.29 142.53 54.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.393 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.44 -172.5 49.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.769 -0.933 . . . . 0.0 110.769 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.67 117.91 10.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 0.0 110.64 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.58 -0.86 80.89 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -99.97 138.8 36.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.68 0.276 . . . . 0.0 110.528 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' MET . . . . . 0.435 ' SD ' ' OE2' ' C' ' 5' ' ' GLU . 64.4 ttp -111.68 -86.1 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.636 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -109.09 -36.41 6.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.493 HG23 ' CD2' ' C' ' 72' ' ' LEU . 24.9 m -133.25 154.71 39.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.77 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' SER . . . . . 0.428 ' O ' HG23 ' B' ' 75' ' ' VAL . 88.1 p -130.51 167.12 19.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.476 -178.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' LEU . . . . . 0.451 ' CD2' HG23 ' A' ' 70' ' ' VAL . 8.3 tt -59.76 -42.97 94.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.536 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.489 HG13 HG21 ' B' ' 8' ' ' VAL . 56.1 t -62.25 -44.94 99.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.608 -178.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.23 -39.12 91.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.123 0.487 . . . . 0.0 110.935 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 71' ' ' SER . 53.5 t -60.04 -47.43 91.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.256 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.6 -45.51 88.98 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.79 98.78 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.929 0.395 . . . . 0.0 110.426 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.5 -39.72 95.17 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.242 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.476 ' O ' HG23 ' B' ' 83' ' ' THR . 29.4 tp -56.99 -47.4 80.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.433 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -67.02 -46.34 74.78 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.701 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.84 -45.91 91.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.817 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.43 -43.98 97.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.247 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.476 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.3 p -63.14 -47.16 83.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.136 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 37.5 t -62.45 -47.44 84.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 32.0 ttm -58.91 -48.78 80.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.431 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.689 HD13 HH12 ' C' ' 19' ' ' ARG . 54.6 tp -60.6 -45.08 95.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.141 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.62 88.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.867 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.528 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 7.8 tmm_? -60.96 -46.08 92.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.291 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.446 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.9 mt-10 -60.33 -48.35 82.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.15 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.94 -40.94 97.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.08 0.467 . . . . 0.0 110.02 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.549 HD13 ' HB1' ' B' ' 22' ' ' ALA . 32.6 mt -60.2 -41.89 88.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.227 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 18.1 m -57.39 -45.58 84.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.012 0.435 . . . . 0.0 109.829 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.16 -42.01 99.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.491 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.43 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 83.2 mt -60.45 -42.92 97.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.436 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 89.3 mt -61.08 -42.89 94.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.546 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -59.58 -39.08 82.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.708 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.35 -41.34 98.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.836 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.0 m80 -58.9 -41.28 86.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.802 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -59.48 -41.26 89.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.111 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.95 -34.0 76.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.487 HD21 HD21 ' C' ' 101' ' ' LEU . 37.8 mt -83.85 -6.37 59.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.366 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 57.0 23.95 8.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.551 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.877 -1.059 . . . . 0.0 110.531 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -57.69 -36.22 71.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.594 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.7 mt-10 -58.49 -76.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.378 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.655 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.4 mt -38.18 -38.43 0.34 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.404 -179.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 5' ' ' GLU . . . . . 0.435 ' OE2' ' SD ' ' B' ' 68' ' ' MET . 96.0 mt-10 -64.87 -47.34 78.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 0.0 110.404 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' C' ' 3' ' ' GLU . 79.0 tt0 -67.42 -36.87 82.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.352 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.48 HG11 HD11 ' C' ' 58' ' ' LEU . 83.8 t -64.06 -42.07 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.378 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.655 HG23 ' O ' ' C' ' 4' ' ' LEU . 70.4 t -60.32 -44.66 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.975 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.6 mtp -59.35 -41.11 88.47 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.2 -41.86 98.16 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.9 -43.19 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 110.424 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.18 -43.88 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.742 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.57 -44.15 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.101 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -61.34 -45.72 93.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.752 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -60.27 -44.04 95.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.168 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.24 -42.29 97.95 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' GLN . . . . . 0.489 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.2 mm-40 -63.85 -42.5 97.56 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.06 79.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.689 HH12 HD13 ' B' ' 86' ' ' LEU . 63.3 ttm-85 -60.83 -47.54 85.91 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 20' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.7 p -54.27 -44.83 72.18 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.76 -42.78 99.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.739 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.576 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -58.88 -50.44 73.99 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.446 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.1 m-85 -59.0 -42.76 90.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.556 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.21 92.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.755 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.77 87.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.601 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.28 -45.27 95.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.442 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' LYS . . . . . 0.489 ' NZ ' ' OE1' ' C' ' 31' ' ' GLN . 66.1 tttm -55.78 -42.25 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.91 -41.65 96.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.92 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.09 93.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.814 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.78 -29.24 70.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.065 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.489 ' OE1' ' NZ ' ' C' ' 27' ' ' LYS . 27.1 mt-30 -79.29 -4.43 50.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.21 12.18 76.82 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -95.89 80.37 3.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.754 0.312 . . . . 0.0 110.208 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -64.75 -35.12 80.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.526 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.38 79.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.046 0.451 . . . . 0.0 110.67 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -34.99 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.342 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.58 81.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.487 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.04 -42.96 99.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.61 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.6 99.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.759 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.67 -40.67 92.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.437 ' SD ' ' CD1' ' C' ' 95' ' ' ILE . 92.4 mmm -63.41 -41.44 98.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.584 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.85 -43.99 97.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.417 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.14 -41.2 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.318 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -61.18 -46.64 89.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.501 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.23 -42.33 94.98 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.334 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.9 mtt -61.18 -42.95 99.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.304 0.573 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.72 99.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.315 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.519 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 97.3 mt -65.19 -39.53 92.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.782 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.68 -40.94 96.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.397 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.55 -40.52 92.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.014 0.435 . . . . 0.0 110.068 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.4 -44.73 82.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.51 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.06 -38.24 88.03 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.39 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.51 -43.12 99.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.321 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.22 -43.81 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.019 0.438 . . . . 0.0 109.982 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.34 -42.11 95.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.228 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.699 HG21 HG22 ' D' ' 356' ' ' THR . 16.8 m -56.88 -43.21 81.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.123 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -63.2 -39.44 94.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.53 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.48 HD11 HG11 ' C' ' 7' ' ' VAL . 95.9 mt -63.45 -29.67 70.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.754 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -86.09 -31.68 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.819 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.534 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -83.07 -9.02 59.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.501 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.1 162.33 51.59 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.09 139.05 58.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.856 0.36 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.24 142.13 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.453 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.15 -172.18 48.88 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.87 118.29 10.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 110.535 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.22 -0.92 82.0 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -99.95 138.7 36.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.624 0.25 . . . . 0.0 110.546 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 64.7 ttp -111.74 -85.71 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.526 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.538 ' NZ ' HD21 ' D' ' 347' ' ' LEU . 88.5 tttt -109.21 -36.79 5.95 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 24.2 m -132.73 154.72 40.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.767 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 71' ' ' SER . . . . . 0.459 ' O ' HG23 ' C' ' 75' ' ' VAL . 87.7 p -129.87 169.31 15.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.532 -178.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 72' ' ' LEU . . . . . 0.493 ' CD2' HG23 ' B' ' 70' ' ' VAL . 7.5 tt -60.27 -43.72 95.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.731 -177.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.47 HG13 HG21 ' C' ' 8' ' ' VAL . 54.4 t -62.59 -45.63 98.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 130.042 3.337 . . . . 0.0 110.602 -178.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.94 -39.03 93.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.999 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 75' ' ' VAL . . . . . 0.459 HG23 ' O ' ' C' ' 71' ' ' SER . 54.6 t -60.1 -47.86 90.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.169 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.64 -45.6 88.93 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.352 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.78 98.56 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.871 0.367 . . . . 0.0 110.398 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.59 -39.74 95.16 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.32 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.475 ' O ' HG23 ' C' ' 83' ' ' THR . 29.1 tp -56.76 -47.85 79.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.45 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -66.62 -46.36 76.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.668 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.19 -45.47 93.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.8 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.68 -43.93 97.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.359 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.475 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.8 p -63.09 -46.94 85.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.195 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 36.1 t -62.78 -47.43 83.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 31.7 ttm -59.02 -48.59 81.03 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.475 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.71 -44.91 96.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.398 . . . . 0.0 110.195 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.48 88.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.981 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 88' ' ' ARG . . . . . 0.519 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 8.0 tmm_? -61.18 -46.2 91.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.211 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.13 -48.32 82.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.208 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.09 -41.14 97.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.183 0.516 . . . . 0.0 110.017 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.576 HD13 ' HB1' ' C' ' 22' ' ' ALA . 33.1 mt -59.9 -41.9 87.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.367 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -57.3 -45.44 84.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.129 0.49 . . . . 0.0 109.993 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.37 -42.01 98.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.456 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.458 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 84.1 mt -60.34 -42.86 96.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 95' ' ' ILE . . . . . 0.437 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 88.5 mt -61.16 -43.08 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.513 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.2 -39.11 81.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.129 0.49 . . . . 0.0 109.781 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.44 -41.24 98.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.831 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.458 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.1 m80 -59.09 -41.2 87.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.77 -40.87 89.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.081 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.09 -33.95 76.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.167 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 101' ' ' LEU . . . . . 0.487 HD21 HD21 ' B' ' 101' ' ' LEU . 37.0 mt -84.08 -6.62 59.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.323 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 57.7 23.58 9.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.447 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.592 -179.889 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 301' ' ' MET . . . . . 0.529 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.82 0.819 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.88 142.98 36.48 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.523 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.36 38.7 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.968 -1.083 . . . . 0.0 109.535 179.196 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.21 28.54 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.572 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.36 18.94 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.101 -1.0 . . . . 0.0 108.425 178.306 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.87 144.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.58 136.61 36.86 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.007 0.908 . . . . 0.0 110.178 177.165 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -85.0 114.34 25.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 105.326 -2.101 . . . . 0.0 105.326 177.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.88 -4.29 19.35 Favored 'General case' 0 C--N 1.265 -3.075 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.717 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 310' ' ' ALA . . . . . 0.813 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.58 141.84 85.66 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 119.686 -1.884 . . . . 0.0 110.564 178.76 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.43 -47.76 12.62 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 124.731 3.62 . . . . 0.0 114.115 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -102.12 27.53 6.57 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 116.125 -2.23 . . . . 0.0 108.746 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.02 -143.36 47.23 Favored Glycine 0 N--CA 1.497 2.758 0 C-N-CA 117.62 -2.229 . . . . 0.0 109.576 -179.088 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.6 tp -88.46 73.3 8.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.942 -1.328 . . . . 0.0 109.493 -177.22 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -65.73 176.67 1.47 Allowed 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 117.856 -1.538 . . . . 0.0 112.183 -178.524 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 316' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.5 p -41.26 -66.85 0.29 Allowed 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 -176.812 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.53 ' N ' ' OG1' ' D' ' 316' ' ' THR . 1.7 tmt_? -56.32 -51.27 82.27 Favored Pre-proline 0 N--CA 1.493 1.684 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.525 -177.521 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 318' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.7 Cg_endo -64.42 -32.23 60.6 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 CA-C-N 119.3 0.786 . . . . 0.0 111.426 -178.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 319' ' ' ALA . . . . . 0.468 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.78 86.66 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.284 -0.885 . . . . 0.0 109.529 -179.364 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 320' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -71.02 -39.71 72.21 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.863 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -63.94 -39.42 94.1 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.042 -1.463 . . . . 0.0 109.492 177.118 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.71 -45.3 93.41 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.614 1.197 . . . . 0.0 108.672 -177.877 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 323' ' ' VAL . . . . . 0.468 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.3 t -62.69 -42.23 95.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.618 -179.548 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.87 -40.27 96.15 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.731 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.81 -39.74 79.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 109.565 178.02 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.99 91.62 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.657 -1.277 . . . . 0.0 109.439 178.558 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.42 -16.13 43.71 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.53 86.14 Favored Glycine 0 N--CA 1.479 1.553 0 O-C-N 119.931 -1.731 . . . . 0.0 109.347 179.083 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.35 32.83 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.338 -1.684 . . . . 0.0 109.98 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.1 p -75.61 -30.13 59.46 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.313 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.66 158.53 9.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 119.817 -1.802 . . . . 0.0 112.841 -179.227 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.24 35.39 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 102.792 -3.04 . . . . 0.0 102.792 171.242 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.72 136.56 60.45 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.41 0 CA-C-O 122.163 0.982 . . . . 0.0 109.351 -178.347 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.93 143.16 51.01 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-O 123.121 1.439 . . . . 0.0 110.033 178.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.1 t -108.05 129.97 61.34 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.737 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 173.071 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 336' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.7 m -127.47 119.53 26.31 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.87 -1.144 . . . . 0.0 108.909 -178.369 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.6 122.62 39.29 Favored 'General case' 0 N--CA 1.5 2.072 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.884 177.439 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 62.5 t30 51.72 38.9 24.14 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.851 -1.155 . . . . 0.0 112.792 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.71 11.03 83.47 Favored Glycine 0 N--CA 1.501 3.013 0 O-C-N 119.944 -1.722 . . . . 0.0 112.491 177.262 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.9 136.26 54.57 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 177.522 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.74 158.54 33.02 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-O 123.751 1.739 . . . . 0.0 112.416 -175.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.36 31.31 Favored 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 112.513 -2.13 . . . . 0.0 108.579 177.487 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.58 135.91 48.84 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.519 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.92 -6.74 47.21 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.737 -1.227 . . . . 0.0 110.739 179.274 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.56 12.96 31.69 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.605 -1.309 . . . . 0.0 109.32 -177.806 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.8 p -133.05 104.17 6.4 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 122.199 1.0 . . . . 0.0 110.146 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 347' ' ' LEU . . . . . 0.533 HD22 ' CE ' ' A' ' 9' ' ' MET . 56.9 tp -57.2 -38.0 73.02 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.891 178.275 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.87 -51.32 70.52 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.637 -1.29 . . . . 0.0 113.07 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.39 70.38 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 119.537 -1.977 . . . . 0.0 109.2 -178.333 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.79 75.88 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.921 -177.515 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 351' ' ' GLN . . . . . 0.532 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 10.5 tp-100 -67.65 -10.5 52.74 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.67 -0.644 . . . . 0.0 109.92 -177.537 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 352' ' ' THR . . . . . 0.437 ' C ' ' OE1' ' C' ' 60' ' ' GLU . 35.3 p -89.71 -7.77 53.82 Favored 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 118.117 -1.433 . . . . 0.0 110.917 -178.416 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 353' ' ' LEU . . . . . 0.477 ' O ' ' CD ' ' C' ' 60' ' ' GLU . 95.1 mt -93.37 159.28 15.33 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.221 -0.924 . . . . 0.0 110.163 -178.505 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.91 2.97 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 106.846 -2.501 . . . . 0.0 106.846 177.103 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.1 mt -119.68 47.47 1.71 Allowed 'General case' 0 C--N 1.308 -1.2 0 O-C-N 120.694 -1.474 . . . . 0.0 107.403 -178.682 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 61.9 p -81.5 172.52 13.4 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.836 -1.145 . . . . 0.0 109.155 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.71 140.91 57.35 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.901 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.47 -3.25 78.87 Favored Glycine 0 N--CA 1.501 2.986 0 C-N-CA 119.968 -1.111 . . . . 0.0 111.325 177.72 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.45 136.01 34.02 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.842 -1.387 . . . . 0.0 110.58 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 91.2 t -96.65 123.77 49.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 176.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.14 160.11 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.317 0 C-N-CA 117.424 -1.71 . . . . 0.0 110.635 178.658 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 362' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.95 128.41 54.91 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.497 -1.377 . . . . 0.0 107.552 175.441 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 363' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.9 121.43 60.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 176.354 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.66 147.25 50.73 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 -179.523 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.78 153.45 47.14 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 118.5 -1.28 . . . . 0.0 109.684 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 366' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.72 6.4 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 118.538 -1.265 . . . . 0.0 108.071 178.187 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.29 -170.29 40.17 Favored Glycine 0 C--N 1.296 -1.677 0 C-N-CA 117.971 -2.062 . . . . 0.0 110.345 178.647 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.39 -40.63 82.89 Favored 'General case' 0 C--N 1.275 -2.658 0 CA-C-N 114.445 -0.878 . . . . 0.0 112.163 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.06 36.8 3.54 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 115.906 -2.318 . . . . 0.0 108.621 -178.69 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.49 65.78 Favored 'General case' 0 N--CA 1.521 3.114 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -174.049 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 371' ' ' GLN . . . . . 0.44 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.9 -45.77 26.82 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.597 -1.939 . . . . 0.0 110.919 -176.526 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' D' D ' 372' ' ' LYS . . . . . 0.762 ' HG2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.64 97.59 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.264 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.47 77.74 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 117.481 -1.688 . . . . 0.0 110.057 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.93 -42.16 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-O 122.176 0.988 . . . . 0.0 109.277 -178.137 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.84 -47.87 76.5 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-O 122.085 0.945 . . . . 0.0 108.82 -178.352 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 376' ' ' HIS . . . . . 0.762 ' CE1' ' HG2' ' D' ' 372' ' ' LYS . 6.0 m80 -69.83 -38.28 76.49 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.699 -178.729 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 377' ' ' LEU . . . . . 0.459 ' HA ' HD23 ' D' ' 377' ' ' LEU . 80.1 mt -75.7 -28.54 58.65 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.42 -1.425 . . . . 0.0 110.846 -174.23 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.51 -39.51 70.71 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.428 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.28 62.92 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.26 -45.14 84.28 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.565 177.575 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.4 -37.39 85.59 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.941 -1.099 . . . . 0.0 111.468 -177.468 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.06 -1.025 . . . . 0.0 110.285 -178.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.87 -32.3 45.9 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.548 -0.72 . . . . 0.0 111.387 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.03 125.52 12.3 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 124.292 1.996 . . . . 0.0 112.911 178.618 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 385' ' ' GLU . . . . . 0.813 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 47.6 mt-10 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.126 -2.761 . . . . 0.0 110.097 -177.545 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -57.43 -36.62 71.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.514 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.2 mt-10 -58.66 -77.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.464 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.7 mt -37.28 -38.28 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.399 -179.035 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.23 -46.7 79.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.915 0.388 . . . . 0.0 110.309 179.489 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' GLU . 81.8 tt0 -68.46 -35.03 77.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.257 179.83 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.415 ' CG1' HD11 ' A' ' 58' ' ' LEU . 87.7 t -64.56 -42.87 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.384 -179.812 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 4' ' ' LEU . 86.5 t -60.81 -43.84 96.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.977 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.533 ' CE ' HD22 ' D' ' 347' ' ' LEU . 93.2 mtp -59.33 -41.03 88.18 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.2 -42.12 96.53 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 mt -63.31 -42.34 99.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.15 179.604 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.34 -44.08 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.704 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.524 HD11 ' HB1' ' D' ' 320' ' ' ALA . 83.7 mt -63.2 -44.09 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.988 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.33 -45.52 94.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.82 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 t -60.64 -44.01 96.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.002 179.554 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.21 -43.03 97.66 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.73 -45.13 94.14 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.43 79.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.859 179.413 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.643 ' NH2' ' CZ ' ' A' ' 23' ' ' TYR . 77.4 ttt-85 -60.29 -47.27 86.72 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.589 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -54.78 -43.81 73.15 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.34 -43.2 98.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.687 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.615 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.38 -50.2 74.88 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.643 ' CZ ' ' NH2' ' A' ' 19' ' ' ARG . 8.0 m-85 -59.51 -42.44 92.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.532 179.508 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.19 93.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.785 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -42.73 83.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.68 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.39 -44.75 96.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.451 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -56.11 -42.17 76.39 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.09 -41.49 96.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.743 179.161 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.65 94.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.698 179.263 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.07 -29.54 69.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.145 179.067 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -80.51 -4.72 54.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.499 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.9 14.18 73.16 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.61 79.73 2.75 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 120.729 0.3 . . . . 0.0 110.331 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -65.23 -34.72 79.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.66 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.36 -49.42 73.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.083 0.468 . . . . 0.0 110.747 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.67 81.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.381 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.85 -48.5 78.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -60.09 -42.98 95.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.632 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.19 94.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.78 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -64.94 -41.53 95.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.493 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.528 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 98.5 mmm -63.13 -40.19 96.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.606 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -62.32 -43.99 97.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.024 0.44 . . . . 0.0 110.621 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.64 -40.45 96.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.206 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.7 p -61.74 -45.44 93.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.532 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -59.79 -42.94 94.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.247 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.0 ttp -60.38 -44.41 95.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.215 0.531 . . . . 0.0 110.593 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.96 99.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.25 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.31 -40.69 96.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.683 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 49' ' ' ASN . 51.1 t-20 -60.7 -41.69 95.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.302 -179.511 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.72 -40.3 95.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.071 0.463 . . . . 0.0 110.265 179.437 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.26 78.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.486 179.403 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.575 ' O ' HG23 ' A' ' 56' ' ' THR . 59.9 t-80 -60.98 -39.0 87.97 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.437 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.482 ' O ' ' OG1' ' A' ' 56' ' ' THR . 40.2 mt -60.66 -44.3 96.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.9 t -65.08 -43.36 95.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.02 0.438 . . . . 0.0 110.066 178.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.756 ' NE2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -58.87 -44.85 91.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.207 -179.882 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 52' ' ' HIS . 40.5 p -58.07 -39.54 78.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.983 -179.519 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -64.07 -40.48 96.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.4 . . . . 0.0 110.504 179.473 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' A' ' 4' ' ' LEU . 96.0 mt -64.29 -29.92 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.638 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.756 HD11 ' NE2' ' A' ' 55' ' ' GLN . 96.7 mt -78.29 -30.76 15.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.772 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -83.87 -13.03 54.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.19 -163.12 0.13 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -86.9 112.05 21.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.389 . . . . 0.0 110.574 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.22 143.37 53.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.527 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.73 144.11 44.81 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -68.05 131.23 45.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.869 0.366 . . . . 0.0 110.729 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.85 -18.4 55.97 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.9 140.19 35.47 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.746 0.308 . . . . 0.0 110.425 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.6 mmm -70.34 -107.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.616 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.561 ' HG2' HG13 ' A' ' 70' ' ' VAL . 88.6 tttt -69.72 -95.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.919 0.39 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.561 HG13 ' HG2' ' A' ' 69' ' ' LYS . 20.1 m -88.97 -148.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.741 -179.724 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.435 ' N ' HG23 ' A' ' 70' ' ' VAL . 83.8 p -133.13 167.59 20.06 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 178.462 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 tp -56.73 -43.4 80.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.626 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG13 HG21 ' A' ' 8' ' ' VAL . 69.3 t -62.72 -44.96 99.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.532 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.46 -40.19 93.61 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.002 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.43 -47.03 92.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.172 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -58.11 -46.15 86.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.789 0.328 . . . . 0.0 110.301 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.37 98.86 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.817 0.341 . . . . 0.0 110.636 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -61.78 -39.62 92.31 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.139 179.683 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 83' ' ' THR . 42.5 tp -58.39 -46.63 86.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.364 -179.121 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -67.68 -48.45 66.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.689 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.24 -44.94 96.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.81 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.0 -42.63 99.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.228 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.1 p -64.82 -46.12 83.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.117 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.44 -49.56 74.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.56 -47.89 80.82 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.514 -179.282 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.89 -44.64 96.39 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.088 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.43 80.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.86 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -58.73 -45.18 90.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.141 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.579 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 97.4 mt-10 -60.91 -44.16 97.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.078 -179.678 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.41 -42.92 95.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.216 0.531 . . . . 0.0 109.851 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.615 HD12 ' HB1' ' A' ' 22' ' ' ALA . 74.0 mt -59.95 -42.18 88.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.29 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.528 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 18.1 m -57.1 -45.51 83.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.037 0.446 . . . . 0.0 109.949 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.3 -43.89 96.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.254 0.549 . . . . 0.0 109.569 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 85.5 mt -59.87 -43.71 94.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.89 -43.13 97.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.468 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.403 ' HG2' ' NZ ' ' A' ' 100' ' ' LYS . 81.9 tt0 -61.8 -39.6 92.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.749 179.302 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 97' ' ' LEU . 36.5 mt -62.1 -41.52 98.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.84 179.616 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.6 m80 -59.25 -38.97 81.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.204 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 103' ' ' ALA . 81.6 tt0 -61.44 -39.81 92.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.168 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' ALA . 61.4 mttp -63.5 -39.15 93.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.199 179.589 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.55 -40.83 96.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.464 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -93.39 -8.0 43.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.451 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.582 -179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -57.08 -36.92 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.0 mt-10 -58.42 -76.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.476 -179.877 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.679 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.7 mt -37.48 -38.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.457 -179.183 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.17 -46.72 79.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.929 0.395 . . . . 0.0 110.335 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' B' ' 3' ' ' GLU . 82.0 tt0 -68.27 -35.04 77.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.245 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.416 ' CG1' HD11 ' B' ' 58' ' ' LEU . 86.0 t -64.7 -42.98 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.348 -179.768 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 4' ' ' LEU . 87.9 t -60.81 -43.74 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.869 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.46 -41.12 88.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.39 96.88 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.105 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' B' ' 11' ' ' LEU . 36.2 mt -63.07 -42.36 99.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.347 . . . . 0.0 110.376 179.545 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.44 -44.01 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.676 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.27 -44.35 99.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.887 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.05 -45.61 94.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.887 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 35.8 t -60.61 -43.93 96.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.067 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.18 -42.98 97.75 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -62.79 -45.49 92.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.97 -48.71 77.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.892 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.643 ' NH2' ' CZ ' ' B' ' 23' ' ' TYR . 77.4 ttt-85 -60.0 -47.22 86.71 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -54.83 -43.98 73.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.14 -43.21 98.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.7 179.022 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.616 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.4 -50.15 75.06 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.751 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 23' ' ' TYR . . . . . 0.643 ' CZ ' ' NH2' ' B' ' 19' ' ' ARG . 8.0 m-85 -59.53 -42.51 92.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.686 179.402 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.05 93.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.753 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.98 83.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.658 179.036 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.14 -45.22 95.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.314 179.104 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -55.76 -42.22 75.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.782 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.95 -41.49 96.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.88 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.69 94.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.689 179.269 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.09 -29.54 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.089 179.091 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -80.67 -4.6 54.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.336 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.05 13.99 73.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.52 79.72 2.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 110.275 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -65.45 -34.76 79.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.596 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.78 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.0 0.428 . . . . 0.0 110.841 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.08 -35.57 80.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.416 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.18 79.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.576 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -60.23 -43.03 96.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.76 0.314 . . . . 0.0 110.58 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.47 95.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.669 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.3 mmm -64.86 -41.18 95.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' MET . . . . . 0.524 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.4 mmm -63.59 -39.84 95.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.532 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -62.76 -43.89 97.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.468 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.65 -40.47 96.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.353 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.4 p -61.69 -45.35 94.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.465 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.0 -42.85 95.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.22 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 64.9 ttp -60.41 -44.29 95.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.251 0.548 . . . . 0.0 110.609 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.32 -42.35 99.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.198 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.99 -40.55 95.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.71 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 51.2 t-20 -60.41 -41.81 94.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.376 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.97 -40.21 94.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.156 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.79 -45.27 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.424 179.371 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' HIS . . . . . 0.583 ' O ' HG23 ' B' ' 56' ' ' THR . 59.9 t-80 -60.99 -39.05 88.19 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 53' ' ' LEU . . . . . 0.483 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.5 mt -60.5 -44.19 96.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.387 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.46 -43.18 94.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.069 0.462 . . . . 0.0 110.037 178.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.748 ' NE2' HD11 ' B' ' 59' ' ' ILE . 0.0 OUTLIER -58.89 -44.95 91.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.275 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.583 HG23 ' O ' ' B' ' 52' ' ' HIS . 40.7 p -58.0 -39.95 79.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.934 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -63.6 -40.75 97.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.979 0.419 . . . . 0.0 110.555 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.445 HD22 ' CD2' ' B' ' 4' ' ' LEU . 96.0 mt -63.99 -29.96 71.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.703 -179.671 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 59' ' ' ILE . . . . . 0.748 HD11 ' NE2' ' B' ' 55' ' ' GLN . 96.7 mt -78.28 -30.73 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -83.88 -12.98 54.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.93 -163.17 0.12 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -87.08 111.19 20.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.52 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.52 143.45 54.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.14 144.85 45.36 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -68.32 131.78 45.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.603 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.33 -18.24 56.73 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.95 140.65 35.13 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.575 0.226 . . . . 0.0 110.521 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mmm -70.8 -107.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 69' ' ' LYS . . . . . 0.495 ' HG2' HG13 ' B' ' 70' ' ' VAL . 88.5 tttt -69.78 -95.72 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.853 179.661 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.495 HG13 ' HG2' ' B' ' 69' ' ' LYS . 20.8 m -87.06 -149.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.798 179.237 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 89.3 p -132.39 168.56 17.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.594 -178.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.83 -43.1 90.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.551 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.507 HG13 HG21 ' B' ' 8' ' ' VAL . 66.8 t -61.93 -44.64 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.593 -178.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.62 -39.47 91.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.088 0.471 . . . . 0.0 110.957 -178.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 51.1 t -59.84 -47.1 92.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.258 -179.175 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.79 -45.42 89.88 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.362 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.34 98.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.953 0.406 . . . . 0.0 110.456 179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -61.91 -39.57 92.46 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.181 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' B' ' 83' ' ' THR . 42.8 tp -58.34 -46.66 85.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.401 -179.221 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.8 -48.11 67.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.693 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.74 -44.8 96.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 -179.102 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.8 -43.11 99.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.253 -179.416 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.3 p -64.35 -46.33 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.149 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -62.17 -49.8 74.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.605 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -57.25 -47.84 80.36 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.438 -179.412 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.03 -44.64 96.27 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.11 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.79 78.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.926 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -58.54 -45.11 89.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.214 -179.564 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 97.9 mt-10 -60.99 -44.26 97.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.213 -179.763 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.26 -42.62 96.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.095 0.474 . . . . 0.0 110.073 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.616 HD12 ' HB1' ' B' ' 22' ' ' ALA . 74.7 mt -60.26 -41.83 88.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.251 179.838 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.524 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 18.0 m -57.37 -45.55 84.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.115 0.483 . . . . 0.0 109.913 179.469 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.51 -43.59 96.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.462 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.569 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 85.9 mt -59.88 -43.77 94.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.97 -43.29 97.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.504 179.354 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.406 ' HG2' ' NZ ' ' B' ' 100' ' ' LYS . 81.3 tt0 -61.66 -39.9 92.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.671 179.431 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.3 mt -61.89 -41.41 97.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.77 179.655 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.7 m80 -59.33 -39.09 82.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.263 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.572 ' O ' ' N ' ' B' ' 103' ' ' ALA . 82.1 tt0 -61.18 -40.03 92.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.037 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 100' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' B' ' 103' ' ' ALA . 61.5 mttp -63.37 -38.97 93.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.231 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.5 -41.88 96.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.331 179.709 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -92.51 -7.81 46.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 103' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.4 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.546 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -57.63 -36.69 72.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.0 mt-10 -58.44 -77.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 4' ' ' LEU . . . . . 0.663 ' O ' HG23 ' C' ' 8' ' ' VAL . 94.8 mt -37.27 -38.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.449 -178.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.17 -46.4 80.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.838 0.351 . . . . 0.0 110.362 179.537 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 6' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' C' ' 3' ' ' GLU . 82.2 tt0 -68.67 -34.97 76.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.278 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 7' ' ' VAL . . . . . 0.414 ' CG1' HD11 ' C' ' 58' ' ' LEU . 89.1 t -64.69 -42.77 95.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 -179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 8' ' ' VAL . . . . . 0.663 HG23 ' O ' ' C' ' 4' ' ' LEU . 89.7 t -60.85 -43.67 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.033 179.653 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mtp -59.63 -40.7 88.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.26 -42.59 96.16 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 179.063 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 11' ' ' LEU . 36.5 mt -62.8 -42.55 99.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.368 179.593 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.06 -44.04 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.7 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 83.5 mt -63.29 -44.31 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.039 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.09 -45.45 94.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.82 179.672 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t -60.64 -44.13 96.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.179 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.75 -43.19 98.12 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -62.9 -45.02 94.48 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.5 -48.49 79.1 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 19' ' ' ARG . . . . . 0.637 ' NH2' ' CZ ' ' C' ' 23' ' ' TYR . 77.7 ttt-85 -60.21 -47.23 86.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.75 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -54.96 -43.93 73.9 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.18 -43.08 99.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.682 179.119 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 22' ' ' ALA . . . . . 0.616 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.54 -50.16 74.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 23' ' ' TYR . . . . . 0.637 ' CZ ' ' NH2' ' C' ' 19' ' ' ARG . 8.0 m-85 -59.51 -42.62 92.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.519 179.485 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.71 92.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.731 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.99 -42.64 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.658 179.19 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.19 -45.14 95.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.426 178.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -55.92 -42.31 75.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.93 -41.47 96.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.924 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.55 93.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.819 179.073 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.57 -29.41 70.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.119 179.095 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -80.29 -4.65 54.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.465 179.672 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.7 14.17 73.76 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.51 79.9 2.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.794 0.331 . . . . 0.0 110.209 179.591 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -65.49 -34.75 79.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.493 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.0 72.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.059 0.457 . . . . 0.0 110.68 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.57 81.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.408 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.62 77.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.407 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -59.69 -43.22 94.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.588 -179.57 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.58 95.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -64.94 -41.39 95.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 41' ' ' MET . . . . . 0.54 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 98.3 mmm -63.25 -40.18 96.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.622 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -62.52 -43.91 97.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.876 0.369 . . . . 0.0 110.4 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.63 -40.31 96.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.271 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 44' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.1 p -62.0 -45.37 93.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 -179.818 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -59.85 -42.85 94.55 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.352 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.28 -44.38 95.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.313 0.578 . . . . 0.0 110.577 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.78 99.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.325 179.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 48' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' C' ' 48' ' ' LEU . 92.5 mt -64.42 -40.42 95.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.698 179.268 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -60.99 -41.57 96.73 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.277 -179.547 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -64.74 -40.75 95.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.028 179.429 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.24 80.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.439 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 52' ' ' HIS . . . . . 0.589 ' O ' HG23 ' C' ' 56' ' ' THR . 60.0 t-80 -61.2 -38.89 88.18 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.346 -179.819 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 53' ' ' LEU . . . . . 0.495 ' O ' ' OG1' ' C' ' 56' ' ' THR . 39.2 mt -60.83 -44.19 97.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.235 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 66.1 t -65.36 -43.22 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.045 0.45 . . . . 0.0 109.927 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 55' ' ' GLN . . . . . 0.765 ' NE2' HD11 ' C' ' 59' ' ' ILE . 0.0 OUTLIER -58.88 -45.09 91.03 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.275 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 56' ' ' THR . . . . . 0.589 HG23 ' O ' ' C' ' 52' ' ' HIS . 41.3 p -57.88 -39.44 77.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.197 -179.729 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -64.26 -40.56 96.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.445 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 58' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' C' ' 4' ' ' LEU . 96.1 mt -63.82 -30.21 71.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.768 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 59' ' ' ILE . . . . . 0.765 HD11 ' NE2' ' C' ' 55' ' ' GLN . 96.8 mt -78.26 -30.51 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 60' ' ' GLU . . . . . 0.532 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.4 mm-40 -83.92 -13.03 54.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.437 179.61 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.05 -163.37 0.13 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -86.85 111.28 20.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.535 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.66 143.19 54.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.477 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.99 144.69 45.36 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -68.27 131.72 45.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.599 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.3 -18.2 56.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.92 140.36 35.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.622 0.249 . . . . 0.0 110.516 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mmm -70.68 -107.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.585 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 69' ' ' LYS . . . . . 0.514 ' HG2' HG13 ' C' ' 70' ' ' VAL . 88.3 tttt -69.63 -95.65 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.514 HG13 ' HG2' ' C' ' 69' ' ' LYS . 20.9 m -87.39 -150.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.71 179.553 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 88.2 p -131.5 170.63 14.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.507 -178.229 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 50.2 tp -58.86 -44.12 90.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.653 -177.617 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 73' ' ' VAL . . . . . 0.508 HG13 HG21 ' C' ' 8' ' ' VAL . 62.7 t -62.54 -44.85 99.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 130.06 3.344 . . . . 0.0 110.633 -178.052 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.58 -39.29 94.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 177.682 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.03 -48.0 89.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.193 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.41 -45.86 87.57 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.45 98.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.864 0.364 . . . . 0.0 110.363 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -61.61 -39.59 91.79 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.316 179.295 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 79' ' ' LEU . . . . . 0.493 ' O ' HG23 ' C' ' 83' ' ' THR . 41.7 tp -58.38 -46.58 86.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.47 -179.209 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.82 -48.23 66.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.74 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.49 -44.99 96.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.808 -179.145 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.7 -42.94 99.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.334 -179.375 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 83' ' ' THR . . . . . 0.493 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.4 p -64.61 -46.31 83.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.114 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.24 -49.63 74.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.573 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.2 -47.79 80.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.701 0.286 . . . . 0.0 110.468 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.18 -44.68 96.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.411 . . . . 0.0 110.166 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.63 -48.83 78.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.0 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 67.2 ttt-85 -58.61 -45.1 89.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.261 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.61 -44.54 96.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.193 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.22 -42.82 96.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.139 0.495 . . . . 0.0 109.992 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 91' ' ' ILE . . . . . 0.616 HD12 ' HB1' ' C' ' 22' ' ' ALA . 75.8 mt -60.12 -41.87 88.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.419 179.79 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 92' ' ' THR . . . . . 0.54 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 17.3 m -57.43 -45.37 84.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.037 0.446 . . . . 0.0 109.957 179.43 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.6 -43.71 96.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.499 179.278 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 85.5 mt -59.86 -43.66 94.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.85 -43.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.541 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.54 -39.76 92.23 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.98 -41.4 97.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.877 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 65.2 m80 -59.37 -39.04 82.03 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.186 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 99' ' ' GLU . . . . . 0.571 ' O ' ' N ' ' C' ' 103' ' ' ALA . 81.5 tt0 -61.3 -39.9 92.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.106 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 100' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 103' ' ' ALA . 61.4 mttp -63.52 -38.83 92.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.16 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.52 -41.76 96.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.302 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -92.68 -7.82 45.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 103' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.514 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.521 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.867 0.841 . . . . 0.0 108.947 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.78 143.04 36.71 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.34 38.67 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.011 -1.056 . . . . 0.0 109.582 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.21 28.52 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.29 18.99 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.061 -1.025 . . . . 0.0 108.414 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.35 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.73 136.62 37.01 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 122.161 0.982 . . . . 0.0 110.101 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.5 mt -84.9 114.27 24.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.91 -4.22 19.39 Favored 'General case' 0 C--N 1.265 -3.105 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.819 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.81 85.78 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.637 -1.914 . . . . 0.0 110.645 178.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.43 -47.72 12.68 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 124.808 3.672 . . . . 0.0 114.17 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -102.14 27.61 6.51 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 116.049 -2.26 . . . . 0.0 108.783 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.49 -141.0 47.62 Favored Glycine 0 N--CA 1.496 2.689 0 C-N-CA 117.709 -2.186 . . . . 0.0 109.599 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.4 tp -89.76 64.77 6.59 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.975 -1.309 . . . . 0.0 109.531 -177.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.694 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.7 OUTLIER -53.79 177.94 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.144 -178.063 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.559 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.0 OUTLIER -45.77 -65.95 0.47 Allowed 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -176.575 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.559 ' N ' ' OG1' ' D' ' 316' ' ' THR . 5.4 tmm_? -56.47 -49.95 90.52 Favored Pre-proline 0 N--CA 1.492 1.658 0 C-N-CA 120.163 -0.615 . . . . 0.0 112.522 -177.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.1 -32.19 64.22 Favored 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 120.577 0.851 . . . . 0.0 111.497 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.476 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.84 86.85 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.529 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.447 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -71.0 -39.65 72.3 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.94 -39.44 94.16 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.004 -1.478 . . . . 0.0 109.478 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.67 -45.3 93.43 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 122.638 1.208 . . . . 0.0 108.722 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.607 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 53.2 t -62.62 -42.27 95.34 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.216 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.676 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.9 -40.27 96.1 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.708 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.81 -39.64 79.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.436 -0.79 . . . . 0.0 109.59 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.06 91.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.573 -1.329 . . . . 0.0 109.454 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . 0.607 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.0 mttp -61.24 -16.18 42.55 Favored 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.91 -10.61 86.09 Favored Glycine 0 N--CA 1.48 1.585 0 O-C-N 119.941 -1.725 . . . . 0.0 109.252 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.412 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.3 32.87 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.229 -1.747 . . . . 0.0 109.978 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.52 -30.11 59.69 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.236 -0.915 . . . . 0.0 112.381 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.78 158.56 10.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 119.833 -1.792 . . . . 0.0 112.837 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.25 35.4 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 102.774 -3.047 . . . . 0.0 102.774 171.289 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.78 136.59 60.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-O 122.271 1.034 . . . . 0.0 109.302 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.8 m -124.94 143.18 51.01 Favored 'General case' 0 C--N 1.286 -2.173 0 CA-C-O 123.108 1.432 . . . . 0.0 109.997 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.4 t -108.02 129.94 61.36 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.719 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.5 m -127.45 119.54 26.34 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.85 -1.157 . . . . 0.0 108.917 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.53 122.62 39.32 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.881 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.75 38.92 24.27 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.865 -1.147 . . . . 0.0 112.797 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.72 10.93 83.59 Favored Glycine 0 N--CA 1.502 3.038 0 O-C-N 119.896 -1.752 . . . . 0.0 112.585 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.84 136.28 54.54 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 69.1 m -124.81 158.59 33.01 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.767 1.746 . . . . 0.0 112.393 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.39 31.35 Favored 'General case' 0 C--N 1.278 -2.533 0 CA-C-N 112.492 -2.14 . . . . 0.0 108.598 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.67 135.96 48.71 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.98 -6.7 47.13 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.685 -1.259 . . . . 0.0 110.716 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.59 13.03 31.51 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.639 -1.288 . . . . 0.0 109.383 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.6 t -133.1 104.14 6.37 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 122.159 0.98 . . . . 0.0 110.14 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.6 tp -57.27 -37.9 73.07 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.95 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -58.82 -51.43 70.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.594 -1.316 . . . . 0.0 113.079 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.45 70.61 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 119.582 -1.949 . . . . 0.0 109.172 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.8 -33.74 75.83 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.932 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -67.66 -10.42 52.09 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.594 -0.691 . . . . 0.0 109.979 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 41.7 p -89.79 -7.73 53.74 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 118.157 -1.417 . . . . 0.0 110.937 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.9 mt -93.37 159.27 15.33 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.222 -0.924 . . . . 0.0 110.233 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.81 2.96 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 106.965 -2.454 . . . . 0.0 106.965 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 90.5 mt -119.55 47.32 1.73 Allowed 'General case' 0 C--N 1.308 -1.209 0 O-C-N 120.661 -1.494 . . . . 0.0 107.402 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.57 ' CG2' HG21 ' C' ' 56' ' ' THR . 62.0 p -81.43 172.54 13.41 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.184 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.68 140.95 57.29 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.829 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.19 78.99 Favored Glycine 0 N--CA 1.502 3.039 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.329 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.5 135.96 34.02 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.904 -1.351 . . . . 0.0 110.641 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.5 123.64 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.14 160.11 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 117.365 -1.734 . . . . 0.0 110.716 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.87 128.39 54.87 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.544 -1.347 . . . . 0.0 107.568 175.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.86 121.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.26 50.72 Favored 'General case' 0 C--N 1.286 -2.185 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.42 47.17 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 118.531 -1.268 . . . . 0.0 109.717 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.521 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.76 6.41 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.012 178.2 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.34 40.17 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 118.0 -2.048 . . . . 0.0 110.356 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.66 82.66 Favored 'General case' 0 C--N 1.275 -2.658 0 CA-C-N 114.41 -0.895 . . . . 0.0 112.232 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -113.99 36.79 3.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 118.966 -2.334 . . . . 0.0 108.566 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.4 -33.56 65.89 Favored 'General case' 0 N--CA 1.522 3.126 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 -174.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.437 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.7 27.38 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 119.606 -1.934 . . . . 0.0 110.982 -176.573 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.854 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.46 -40.69 97.8 Favored 'General case' 0 C--N 1.284 -2.245 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.51 77.58 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.466 -1.693 . . . . 0.0 110.062 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.8 -42.24 88.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 CA-C-O 122.2 1.0 . . . . 0.0 109.264 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.91 -47.87 76.68 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-O 122.029 0.919 . . . . 0.0 108.725 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.854 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.82 -38.3 76.51 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.675 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.439 HD22 ' CE1' ' D' ' 322' ' ' PHE . 79.9 mt -75.69 -28.55 58.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.276 -1.515 . . . . 0.0 110.86 -174.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.55 -39.49 70.32 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.378 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.14 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.22 -45.17 84.1 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 118.973 -1.091 . . . . 0.0 110.596 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.39 -37.37 85.51 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.92 -1.113 . . . . 0.0 111.517 -177.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.71 61.57 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.087 -1.008 . . . . 0.0 110.291 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.98 -32.25 45.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.456 -0.777 . . . . 0.0 111.336 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.08 125.48 12.31 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 124.275 1.988 . . . . 0.0 112.886 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.819 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 96.6 mt-10 . . . . . 0 C--N 1.277 -2.579 0 CA-C-N 111.165 -2.743 . . . . 0.0 110.121 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 8' ' ' VAL . 53.1 mt . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -64.65 -46.68 81.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.851 0.358 . . . . 0.0 110.276 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -67.78 -35.1 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.241 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.71 -42.24 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.284 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 4' ' ' LEU . 72.2 t -60.21 -44.46 95.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.907 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -58.47 -41.2 84.69 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.77 98.33 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.348 -1.101 . . . . 0.0 110.348 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.452 HD13 ' OE1' ' A' ' 55' ' ' GLN . 30.3 mt -62.92 -42.57 99.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.185 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.3 -44.4 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.722 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.447 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.4 mt -63.11 -44.06 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.957 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.3 -45.82 92.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.802 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -60.43 -44.81 95.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.027 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.49 -41.95 99.11 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -63.7 -43.7 95.82 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.406 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.31 -48.72 79.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.882 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.73 -46.35 90.76 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.0 t -54.46 -44.93 72.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.23 -43.01 99.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.741 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.582 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.46 -49.78 76.48 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -59.14 -43.37 92.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.553 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.72 88.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.815 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.08 88.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.693 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.41 -46.2 91.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.468 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.81 -43.03 72.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.45 HE21 ' HB1' ' A' ' 36' ' ' ALA . 15.5 mm100 -60.14 -41.4 92.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.794 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.08 92.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.657 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.81 -29.7 69.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.119 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.48 -4.43 57.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.377 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.38 17.73 65.94 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -99.79 78.43 2.13 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.744 0.307 . . . . 0.0 110.241 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.38 -34.23 77.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.71 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.9 76.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.078 0.466 . . . . 0.0 110.782 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.45 ' HB1' HE21 ' A' ' 28' ' ' GLN . . . -64.5 -35.11 79.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.357 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.24 84.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -61.6 -42.2 98.52 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.69 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.8 mtt -65.56 -41.93 92.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.457 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.484 ' SD ' HD12 ' A' ' 95' ' ' ILE . 72.5 mtm -63.63 -41.66 98.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.613 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.84 -45.56 93.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.554 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.57 -39.59 94.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.205 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.7 t -61.4 -46.21 91.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.55 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 72.0 ttt180 -60.15 -42.51 95.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.306 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.38 -44.54 95.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.196 0.522 . . . . 0.0 110.582 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.52 98.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.206 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.406 HD21 ' CB ' ' A' ' 18' ' ' ALA . 94.1 mt -64.97 -40.15 94.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.665 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.35 -41.84 97.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.278 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.54 -40.05 92.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.182 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.55 -45.35 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.439 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.25 -39.57 87.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.395 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.3 mt -60.33 -45.16 94.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.328 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.82 -43.53 96.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.012 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.504 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 67.7 tp60 -59.12 -44.37 92.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.278 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -55.71 -43.59 76.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.047 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.38 -41.78 97.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.923 0.392 . . . . 0.0 110.572 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.0 mt -65.99 -38.21 87.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.85 -39.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.855 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.47 -179.511 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.904 0.383 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.512 ' O ' HG23 ' A' ' 75' ' ' VAL . 10.7 p -131.4 163.83 27.03 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.7 mt -57.76 -43.17 85.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.614 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.607 HG13 HG21 ' A' ' 8' ' ' VAL . 75.6 t -64.17 -46.62 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.874 0.369 . . . . 0.0 110.61 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.46 -41.17 98.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.044 0.45 . . . . 0.0 110.881 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 71' ' ' SER . 53.1 t -59.49 -47.0 92.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.216 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.93 -46.28 88.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.836 0.35 . . . . 0.0 110.314 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.504 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.58 -42.7 95.44 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.628 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.49 -40.94 98.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.136 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 83' ' ' THR . 47.5 tp -57.65 -45.81 85.02 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.336 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -67.37 -46.58 72.9 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.747 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.56 -45.51 93.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.849 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -62.32 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.164 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.1 p -64.24 -46.66 82.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.091 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 79.7 p -61.91 -49.67 75.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 tpp -57.74 -47.85 81.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.499 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.31 -44.63 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.107 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.98 79.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.86 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.41 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 65.1 ttt-85 -58.46 -45.2 89.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.148 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -60.53 -44.86 95.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.071 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.2 mt -64.24 -42.47 96.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.114 0.483 . . . . 0.0 109.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.582 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.4 mt -60.36 -42.1 89.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.294 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.92 -45.39 86.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.016 0.436 . . . . 0.0 109.895 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.1 -43.52 98.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.621 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.578 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 85.0 mt -60.05 -43.55 95.3 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.484 HD12 ' SD ' ' A' ' 41' ' ' MET . 88.6 mt -61.37 -43.11 96.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.32 -38.94 91.37 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 97' ' ' LEU . 36.3 mt -62.07 -41.36 98.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.904 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.2 m80 -60.34 -38.85 85.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.53 -39.28 87.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -64.07 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.219 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.0 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.396 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.601 ' O ' HG23 ' B' ' 8' ' ' VAL . 53.5 mt . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.517 0.198 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.54 -46.86 81.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.944 0.402 . . . . 0.0 110.288 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -67.29 -35.76 80.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.25 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.2 -42.29 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.305 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 4' ' ' LEU . 73.7 t -60.35 -44.21 95.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.846 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -58.83 -40.86 85.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.61 98.04 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.443 HD13 ' OE1' ' B' ' 55' ' ' GLN . 31.8 mt -63.0 -42.71 99.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.704 0.288 . . . . 0.0 110.309 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.32 -44.3 99.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.703 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.14 -44.13 99.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.938 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.23 -45.99 92.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.844 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -60.36 -44.83 95.2 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.104 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -42.09 99.46 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.136 -1.185 . . . . 0.0 110.136 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -63.53 -43.77 96.16 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.01 -49.34 77.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.839 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.37 -46.08 91.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -54.73 -44.9 73.94 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.28 -42.77 99.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.747 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.595 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.84 -49.63 76.95 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.07 -43.4 91.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.692 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.13 89.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.723 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.25 -42.81 87.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.671 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.79 -46.36 89.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.297 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.81 -43.05 72.59 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.472 HE21 ' HB1' ' B' ' 36' ' ' ALA . 15.5 mm100 -60.01 -41.47 92.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.899 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.13 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.705 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.86 -29.82 69.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.053 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -82.48 -4.57 57.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.392 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.78 17.31 65.99 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.38 78.6 2.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.845 0.355 . . . . 0.0 110.307 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.63 -34.16 77.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.586 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.14 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.1 0.476 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.472 ' HB1' HE21 ' B' ' 28' ' ' GLN . . . -64.44 -35.1 79.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.349 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.22 85.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.523 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.77 -42.56 99.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.54 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.58 98.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.664 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.36 -41.81 93.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.507 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.0 mtm -63.85 -41.57 97.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.564 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -61.92 -45.23 94.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.426 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.94 -39.66 95.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.278 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -61.23 -46.27 91.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.528 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.404 ' HB2' ' NH2' ' B' ' 88' ' ' ARG . 71.1 ttt180 -60.22 -42.39 95.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.26 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.44 -44.79 95.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.316 0.579 . . . . 0.0 110.623 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.93 98.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.106 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' B' ' 18' ' ' ALA . 93.4 mt -65.36 -40.33 93.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.75 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.26 -41.95 97.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.334 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -65.41 -40.3 93.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.114 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.54 76.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.478 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.36 -39.39 87.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.262 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.28 -45.01 94.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.312 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.45 -42.81 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.04 0.448 . . . . 0.0 110.095 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.518 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 68.0 tp60 -59.54 -44.22 93.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.326 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -55.67 -44.07 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.953 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.99 -42.08 97.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.868 0.366 . . . . 0.0 110.529 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.71 -38.37 89.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.672 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.72 -39.17 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.73 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.497 -179.589 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.845 0.355 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.539 ' O ' HG23 ' B' ' 75' ' ' VAL . 19.9 p -130.51 165.24 23.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.559 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 37.9 mt -59.6 -43.58 93.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.528 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.583 HG13 HG21 ' B' ' 8' ' ' VAL . 71.7 t -62.8 -46.18 96.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.591 -178.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.75 -40.67 97.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 71' ' ' SER . 53.2 t -59.61 -46.99 92.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.28 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.52 -46.05 89.97 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.346 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.518 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -64.38 -42.7 96.0 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.814 0.34 . . . . 0.0 110.378 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -63.45 -41.03 98.64 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.265 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 83' ' ' THR . 46.7 tp -57.77 -45.41 86.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.403 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -67.58 -46.5 72.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.703 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.88 -45.66 92.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.86 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.96 -43.06 99.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.263 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.483 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.8 p -64.33 -46.59 82.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.224 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 80.5 p -62.01 -49.57 75.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.661 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 8.7 tpp -57.74 -47.81 81.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.466 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.53 -44.39 96.46 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.091 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.66 -49.13 78.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.837 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.404 ' NH2' ' HB2' ' B' ' 45' ' ' ARG . 65.0 ttt-85 -58.3 -45.32 88.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.273 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.54 -44.84 95.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.15 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.26 -42.24 96.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.025 0.44 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.595 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.5 mt -60.45 -42.27 90.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.233 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.58 -45.81 84.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.134 0.493 . . . . 0.0 109.876 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.97 -43.47 98.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.439 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 84.4 mt -59.84 -43.69 94.47 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.507 HD12 ' SD ' ' B' ' 41' ' ' MET . 89.8 mt -61.36 -43.0 95.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.511 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -62.29 -38.81 90.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.787 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.8 mt -62.5 -41.12 98.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.801 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.9 m80 -60.27 -38.56 83.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.84 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.87 -39.78 90.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.107 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -63.75 -37.42 87.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.198 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.343 179.635 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.618 ' O ' HG23 ' C' ' 8' ' ' VAL . 53.0 mt . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.605 0.24 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.69 -47.02 79.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.319 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -67.28 -35.11 78.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.297 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.71 -42.33 94.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.337 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.618 HG23 ' O ' ' C' ' 4' ' ' LEU . 69.7 t -60.19 -44.75 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.003 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -58.17 -41.14 83.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.13 -41.96 98.23 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.456 HD13 ' OE1' ' C' ' 55' ' ' GLN . 32.0 mt -62.56 -42.94 99.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.93 0.395 . . . . 0.0 110.347 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.01 -44.29 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.733 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.1 -44.07 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.071 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.41 -45.94 92.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.768 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.1 -44.77 94.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.113 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.44 -42.42 99.04 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -63.27 -43.97 96.43 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.37 76.86 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.23 -46.3 90.26 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.0 t -54.66 -45.02 73.78 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.17 -42.63 99.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.723 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.595 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.82 -49.88 75.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.02 -43.61 91.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.515 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.78 88.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.718 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.95 89.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.622 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.28 -46.68 89.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.394 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.69 -43.07 72.16 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.462 HE21 ' HB1' ' C' ' 36' ' ' ALA . 15.4 mm100 -60.13 -41.11 91.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.849 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.68 92.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.813 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.37 -29.88 70.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.046 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.23 -4.07 56.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.18 17.42 67.03 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -99.45 78.94 2.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.741 0.305 . . . . 0.0 110.257 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -64.85 -34.16 77.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.538 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.06 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.035 0.445 . . . . 0.0 110.706 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . 0.462 ' HB1' HE21 ' C' ' 28' ' ' GLN . . . -64.51 -34.84 79.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.417 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.15 84.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.471 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.76 -42.34 98.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.623 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.52 98.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.767 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.3 mtt -65.41 -41.77 93.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.566 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.506 ' SD ' HD12 ' C' ' 95' ' ' ILE . 72.6 mtm -63.94 -41.46 97.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.608 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -62.09 -45.72 92.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.362 . . . . 0.0 110.407 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.34 -39.55 93.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.342 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 42.7 t -61.42 -46.25 90.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.401 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 72.1 ttt180 -60.27 -42.18 94.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.3 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -60.67 -44.78 96.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.316 0.579 . . . . 0.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.19 98.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.342 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' C' ' 48' ' ' LEU . 92.7 mt -65.3 -40.13 93.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.723 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.74 -41.74 98.05 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.337 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.48 -39.91 92.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.978 0.418 . . . . 0.0 110.008 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.72 -45.3 75.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.45 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.56 -38.9 86.05 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.392 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.94 -44.67 96.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.287 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.35 -43.22 94.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.015 0.436 . . . . 0.0 110.0 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.515 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 67.6 tp60 -59.21 -44.91 92.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.292 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.57 HG21 ' CG2' ' D' ' 356' ' ' THR . 18.7 m -54.91 -44.02 73.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.144 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.28 -41.76 97.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.498 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.87 -38.46 88.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.795 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.831 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.55 ' O ' HG23 ' C' ' 75' ' ' VAL . 20.8 p . . . . . 0 C--O 1.226 -0.137 0 CA-C-O 121.109 0.481 . . . . 0.0 110.45 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' C' ' 72' ' ' LEU . 19.8 mt -62.05 -42.39 99.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.708 -177.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.571 HG13 HG21 ' C' ' 8' ' ' VAL . 69.1 t -64.33 -46.47 93.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 130.135 3.374 . . . . 0.0 110.626 -178.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.7 mt -65.85 -40.14 91.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.55 HG23 ' O ' ' C' ' 71' ' ' SER . 53.1 t -60.17 -47.57 91.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.226 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.26 -46.18 89.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.313 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.515 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -64.42 -42.63 95.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.922 0.391 . . . . 0.0 110.419 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -63.71 -41.03 98.16 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.211 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.469 ' O ' HG23 ' C' ' 83' ' ' THR . 45.6 tp -57.49 -45.59 84.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.465 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -67.77 -46.39 72.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.709 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.87 -45.53 93.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.814 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -62.0 -43.2 99.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.384 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.469 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.5 p -64.28 -46.84 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.165 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -61.72 -49.76 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.607 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.5 tpp -57.53 -47.97 80.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.737 0.304 . . . . 0.0 110.464 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.41 -44.38 96.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.163 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.16 78.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.926 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.401 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 64.4 ttt-85 -58.53 -45.28 89.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.21 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.37 -44.92 95.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.877 0.37 . . . . 0.0 110.126 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.18 -42.47 96.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.21 0.529 . . . . 0.0 110.074 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.595 HD12 ' HB1' ' C' ' 22' ' ' ALA . 78.8 mt -60.41 -42.32 90.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.394 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.1 m -57.47 -45.7 84.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.067 0.46 . . . . 0.0 110.008 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.07 -43.54 98.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.487 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.565 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 84.7 mt -59.66 -43.54 93.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.347 0.594 . . . . 0.0 109.515 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . 0.506 HD12 ' SD ' ' C' ' 41' ' ' MET . 89.1 mt -61.37 -42.92 95.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.598 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -62.36 -38.92 91.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.724 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.36 -41.35 98.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.846 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.1 m80 -60.07 -38.65 83.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.755 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.02 -39.26 89.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.128 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -64.17 -37.1 86.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.254 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.295 179.653 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.524 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 121.89 0.852 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.07 36.65 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.33 38.58 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.035 -1.041 . . . . 0.0 109.569 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.2 149.14 28.42 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.32 18.92 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.057 -1.027 . . . . 0.0 108.401 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.85 144.32 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.7 136.65 36.94 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.181 0.991 . . . . 0.0 110.16 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.4 mt -84.99 114.37 25.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.1 p -106.9 -4.35 19.25 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.814 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.86 85.86 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 119.716 -1.865 . . . . 0.0 110.57 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -45.47 -47.76 12.72 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 124.75 3.633 . . . . 0.0 114.155 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -102.13 27.61 6.5 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 116.009 -2.276 . . . . 0.0 108.799 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.8 -141.92 48.21 Favored Glycine 0 N--CA 1.496 2.693 0 C-N-CA 117.698 -2.191 . . . . 0.0 109.604 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.7 tp -90.07 70.82 7.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.883 -1.363 . . . . 0.0 109.475 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.701 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.1 p80 -62.03 176.47 0.56 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 117.906 -1.518 . . . . 0.0 112.094 -178.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.1 p -42.7 -65.05 0.52 Allowed 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -176.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.536 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.1 tmt_? -56.46 -51.58 80.0 Favored Pre-proline 0 N--CA 1.493 1.691 0 C-N-CA 120.181 -0.608 . . . . 0.0 112.446 -177.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.48 -32.2 60.04 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 120.693 0.929 . . . . 0.0 111.513 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.522 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.97 -38.8 86.73 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.221 -0.924 . . . . 0.0 109.54 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.487 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.97 -39.69 72.36 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -63.89 -39.43 94.16 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 118.015 -1.474 . . . . 0.0 109.51 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.68 -45.31 93.37 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 122.606 1.193 . . . . 0.0 108.681 -177.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.522 HG23 ' O ' ' D' ' 319' ' ' ALA . 70.1 t -62.72 -42.29 95.58 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.6 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.77 -40.33 96.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.789 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.539 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.72 80.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 109.62 177.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.0 91.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.561 -1.337 . . . . 0.0 109.456 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.33 -16.19 43.53 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.282 -0.887 . . . . 0.0 113.339 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.95 -10.59 86.13 Favored Glycine 0 N--CA 1.479 1.525 0 O-C-N 119.873 -1.767 . . . . 0.0 109.271 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.46 143.37 32.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.227 -1.749 . . . . 0.0 110.009 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.7 p -75.66 -29.99 59.28 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.243 -0.911 . . . . 0.0 112.335 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.84 158.63 10.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.841 -1.787 . . . . 0.0 112.777 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.04 130.28 35.35 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 102.79 -3.041 . . . . 0.0 102.79 171.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.76 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.413 0 CA-C-O 122.222 1.01 . . . . 0.0 109.307 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.88 143.25 50.94 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 123.06 1.41 . . . . 0.0 109.952 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.7 t -108.2 129.9 61.69 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.721 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 173.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.6 m -127.41 119.52 26.35 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.846 -1.159 . . . . 0.0 108.948 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.0 t -122.54 122.62 39.33 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.578 -0.701 . . . . 0.0 109.93 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.77 38.95 24.46 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.94 -1.1 . . . . 0.0 112.719 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.67 11.0 83.56 Favored Glycine 0 N--CA 1.502 3.093 0 O-C-N 119.913 -1.742 . . . . 0.0 112.521 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 67.9 m -124.8 158.53 33.14 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-O 123.833 1.777 . . . . 0.0 112.449 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.42 31.47 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 112.438 -2.164 . . . . 0.0 108.55 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.68 136.05 48.77 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 173.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.435 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.03 -6.81 48.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.715 -1.24 . . . . 0.0 110.68 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -97.4 12.88 31.65 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.633 -1.292 . . . . 0.0 109.418 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.4 t -133.06 104.2 6.41 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.202 1.001 . . . . 0.0 110.092 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.9 tp -57.27 -37.87 73.02 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.968 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.93 -51.33 70.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.614 -1.304 . . . . 0.0 113.064 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.06 -32.43 70.54 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 119.65 -1.906 . . . . 0.0 109.217 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.83 -33.73 75.85 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.941 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -67.65 -10.39 51.78 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.678 -0.639 . . . . 0.0 109.988 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.8 p -89.76 -7.75 53.75 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 118.141 -1.423 . . . . 0.0 110.95 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.36 159.29 15.32 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.213 -0.93 . . . . 0.0 110.175 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 106.937 -2.465 . . . . 0.0 106.937 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.61 47.3 1.74 Allowed 'General case' 0 C--N 1.308 -1.203 0 O-C-N 120.761 -1.435 . . . . 0.0 107.378 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.67 ' CG2' HG21 ' C' ' 56' ' ' THR . 64.7 p -81.38 172.59 13.37 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.227 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.75 140.9 57.4 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.872 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.13 78.96 Favored Glycine 0 N--CA 1.502 3.035 0 C-N-CA 120.029 -1.081 . . . . 0.0 111.317 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.39 135.93 34.08 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 120.904 -1.351 . . . . 0.0 110.651 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.54 123.68 48.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.485 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.13 160.05 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 C-N-CA 117.411 -1.716 . . . . 0.0 110.63 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.0 m -108.86 128.38 54.85 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.482 -1.386 . . . . 0.0 107.643 175.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.9 121.4 60.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.56 147.21 50.69 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -179.509 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.7 153.49 47.26 Favored 'General case' 0 C--N 1.292 -1.924 0 C-N-CA 118.496 -1.282 . . . . 0.0 109.762 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.524 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.26 110.78 6.4 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 118.522 -1.271 . . . . 0.0 107.989 178.211 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.28 40.15 Favored Glycine 0 C--N 1.297 -1.62 0 C-N-CA 117.948 -2.072 . . . . 0.0 110.331 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.69 82.92 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-N 114.399 -0.9 . . . . 0.0 112.21 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.96 36.75 3.54 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 115.884 -2.326 . . . . 0.0 108.576 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.32 -33.56 65.72 Favored 'General case' 0 N--CA 1.52 3.067 0 N-CA-C 116.885 2.18 . . . . 0.0 116.885 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.461 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.61 27.31 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 119.604 -1.935 . . . . 0.0 110.967 -176.56 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.782 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.71 97.76 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.25 -49.41 77.95 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 117.415 -1.714 . . . . 0.0 110.043 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.82 -42.23 88.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 CA-C-O 122.273 1.035 . . . . 0.0 109.345 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.89 -47.89 76.61 Favored 'General case' 0 C--N 1.287 -2.139 0 CA-C-O 122.005 0.907 . . . . 0.0 108.749 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.782 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.8 m-70 -69.68 -38.43 77.03 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.718 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.436 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.7 mt -75.53 -28.67 59.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.459 -1.401 . . . . 0.0 110.896 -174.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.46 70.98 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.34 62.63 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.539 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.18 -45.33 83.79 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.554 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.485 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.31 -37.32 85.13 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.88 -1.137 . . . . 0.0 111.563 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.85 61.65 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.025 -1.047 . . . . 0.0 110.246 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.93 -32.27 45.49 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.5 -0.75 . . . . 0.0 111.341 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.13 125.46 12.34 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.305 2.002 . . . . 0.0 112.864 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.814 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 33.8 tp10 . . . . . 0 C--N 1.277 -2.553 0 CA-C-N 111.074 -2.784 . . . . 0.0 110.164 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 8' ' ' VAL . 93.8 mt . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.11 -46.45 80.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.913 0.387 . . . . 0.0 110.248 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -68.48 -35.74 77.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.291 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 58' ' ' LEU . 79.8 t -64.02 -42.52 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.414 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 4' ' ' LEU . 99.2 t -60.57 -44.33 96.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.938 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.5 -41.15 89.22 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.25 -42.16 96.41 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.02 -42.5 99.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.223 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.02 -43.79 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.708 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.487 HD11 ' HB1' ' D' ' 320' ' ' ALA . 85.4 mt -63.14 -44.24 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.99 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.538 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 51.2 t-20 -60.57 -46.4 90.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.799 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -60.8 -44.29 97.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.985 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.22 99.05 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.53 -42.92 98.4 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.46 -49.04 77.55 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -61.0 -46.28 91.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 m -54.73 -44.47 73.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.96 -42.23 99.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.73 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.64 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -58.9 -49.83 76.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.56 -42.07 91.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.621 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.29 94.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.799 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -42.89 83.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.663 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.18 -45.34 95.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.496 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -56.65 -41.72 77.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.0 -43.82 98.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.838 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.81 93.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.718 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -60.43 -30.8 69.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.145 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -79.99 -1.74 40.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.431 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.14 14.24 75.15 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.79 80.36 3.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.764 0.316 . . . . 0.0 110.252 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -64.84 -35.03 79.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.651 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -48.66 79.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.994 0.426 . . . . 0.0 110.757 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.32 80.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.354 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.84 81.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.558 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -61.44 -42.76 99.25 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.599 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.63 97.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.794 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.01 -42.02 94.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.454 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.555 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.2 mtm -64.33 -39.92 94.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.573 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.9 -45.25 94.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.932 0.396 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -62.38 -39.45 93.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.18 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.435 ' HB2' ' HE ' ' A' ' 88' ' ' ARG . 68.4 m -61.39 -45.16 95.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.533 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.32 -42.06 94.83 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.327 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.62 -43.77 97.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.191 0.52 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.16 97.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.282 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 48' ' ' LEU . 93.7 mt -65.05 -40.47 94.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.661 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -61.3 -41.76 97.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.307 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -65.03 -40.72 95.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.206 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.538 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.12 -44.8 78.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.45 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.81 -39.5 89.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.38 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.03 -44.49 97.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.354 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.43 -43.68 94.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.051 0.453 . . . . 0.0 110.015 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.532 HE22 ' CB ' ' A' ' 77' ' ' ALA . 5.4 tp-100 -59.77 -43.69 94.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.282 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -55.42 -44.14 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.076 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.43 -41.18 93.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.499 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.506 HD11 HG11 ' A' ' 7' ' ' VAL . 97.4 mt -67.18 -39.35 86.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.667 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -66.43 -40.03 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 -179.214 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 71' ' ' SER . 32.7 m . . . . . 0 N--CA 1.462 0.161 0 CA-C-O 120.978 0.418 . . . . 0.0 110.725 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 75' ' ' VAL . 90.8 p -135.35 170.55 15.76 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.428 ' N ' HD11 ' B' ' 72' ' ' LEU . 7.9 tt -58.12 -43.38 87.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.597 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG1' HG21 ' A' ' 8' ' ' VAL . 48.2 t -61.93 -46.3 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.866 0.365 . . . . 0.0 110.609 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.512 ' CD2' ' OE1' ' A' ' 55' ' ' GLN . 30.3 mt -61.58 -38.8 88.86 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 71' ' ' SER . 63.2 t -59.29 -47.37 90.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.186 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -59.72 -45.53 91.89 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.329 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.532 ' CB ' HE22 ' A' ' 55' ' ' GLN . . . -61.9 -44.17 97.33 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.648 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.7 -37.96 86.1 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.141 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 83' ' ' THR . 37.2 tp -57.73 -47.31 82.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.379 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.427 ' O ' ' OG1' ' A' ' 83' ' ' THR . 74.8 m80 -67.36 -47.39 70.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.34 -45.37 94.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.861 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.4 mmm -61.55 -42.84 99.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.196 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.8 p -63.01 -46.7 86.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.112 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -61.97 -48.69 79.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.49 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.75 -48.66 78.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.522 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.13 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.07 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.0 83.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.876 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.435 ' HE ' ' HB2' ' A' ' 44' ' ' SER . 69.4 ttt-85 -58.01 -46.07 85.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.114 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.5 -44.5 95.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.057 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.75 -43.13 94.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.211 0.529 . . . . 0.0 109.81 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.64 HD12 ' HB1' ' A' ' 22' ' ' ALA . 75.6 mt -60.82 -42.37 92.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.295 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.2 m -58.04 -45.59 86.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.498 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.6 mt-10 -63.33 -42.67 98.99 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.92 -42.57 94.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.555 HD12 ' SD ' ' A' ' 41' ' ' MET . 89.2 mt -60.85 -43.12 94.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.472 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -61.51 -38.5 87.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 97' ' ' LEU . 35.4 mt -62.38 -41.57 98.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.928 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -59.09 -39.99 83.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.761 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.34 -40.09 89.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.155 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.3 -36.14 83.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.25 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 43.9 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.372 179.683 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.75 ' O ' HG23 ' B' ' 8' ' ' VAL . 93.9 mt . . . . . 0 CA--C 1.521 -0.14 0 CA-C-O 120.528 0.204 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.32 -46.64 79.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.93 -35.9 79.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.239 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.502 HG11 HD11 ' B' ' 58' ' ' LEU . 79.9 t -64.08 -42.72 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 4' ' ' LEU . 98.2 t -60.49 -43.96 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.889 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.1 mtp -59.79 -41.07 90.36 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -42.24 96.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.169 -1.173 . . . . 0.0 110.169 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.07 -42.4 99.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.864 0.364 . . . . 0.0 110.388 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.14 -43.83 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.701 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.11 -43.92 99.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.935 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.532 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 52.1 t-20 -61.11 -46.1 91.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.887 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.8 t -60.75 -44.45 96.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.104 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.08 -43.44 98.77 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.146 -1.181 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.97 -43.05 99.86 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.61 -49.04 77.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.915 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 -60.75 -46.38 90.67 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -54.63 -44.57 73.29 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.92 -42.28 99.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.66 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.636 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.17 -49.74 76.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.54 -41.84 90.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.668 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.02 95.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.746 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.12 85.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.636 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.1 -45.48 94.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.33 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.56 -41.89 77.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.83 -43.63 98.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.807 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.06 95.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.743 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.16 -30.64 69.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.075 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.03 -1.91 41.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.413 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.29 13.92 75.51 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.53 80.18 3.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.797 0.332 . . . . 0.0 110.34 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -64.74 -34.95 79.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.649 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.99 -49.25 76.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.077 0.465 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.14 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.415 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.17 80.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.524 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -61.08 -43.25 99.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.555 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.86 98.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.7 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.89 -42.14 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.514 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.555 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.2 mtm -64.1 -40.16 95.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.516 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.73 -45.3 94.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.464 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.23 -39.68 93.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.255 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.439 ' HB2' ' HE ' ' B' ' 88' ' ' ARG . 67.3 m -61.2 -45.31 95.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.483 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -60.24 -41.97 94.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.295 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -60.37 -43.99 96.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.293 0.568 . . . . 0.0 110.664 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.3 97.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.185 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.01 -40.47 94.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.673 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.42 -41.59 97.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.322 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -65.13 -40.87 95.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.079 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.532 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.08 -44.81 79.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.409 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.96 -39.44 89.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.221 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.98 -44.48 97.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.391 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.6 -43.63 93.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.035 0.445 . . . . 0.0 110.038 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.515 ' OE1' ' CD2' ' B' ' 74' ' ' LEU . 5.4 tp-100 -59.65 -43.51 93.86 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.213 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -55.83 -44.02 77.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.971 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.56 -40.76 92.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.844 0.354 . . . . 0.0 110.536 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.502 HD11 HG11 ' B' ' 7' ' ' VAL . 97.5 mt -67.63 -38.98 84.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.86 -40.17 85.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.728 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.577 -179.395 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.413 HG23 ' N ' ' B' ' 71' ' ' SER . 33.1 m . . . . . 0 N--CA 1.462 0.149 0 CA-C-O 120.854 0.359 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.485 ' O ' HG23 ' B' ' 75' ' ' VAL . 99.7 p -135.24 171.23 14.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.546 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 72' ' ' LEU . 7.6 tt -59.87 -43.26 94.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.583 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.466 ' CG1' HG21 ' B' ' 8' ' ' VAL . 47.6 t -61.25 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.58 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.515 ' CD2' ' OE1' ' B' ' 55' ' ' GLN . 32.5 mt -61.58 -38.67 88.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.08 0.467 . . . . 0.0 110.936 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 71' ' ' SER . 61.4 t -59.2 -47.13 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.305 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.44 -44.76 95.48 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.257 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.514 ' CB ' HE22 ' B' ' 55' ' ' GLN . . . -62.22 -44.5 96.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.915 0.388 . . . . 0.0 110.414 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -61.47 -37.98 85.57 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.231 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 83' ' ' THR . 36.8 tp -57.79 -47.01 83.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.415 ' O ' ' OG1' ' B' ' 83' ' ' THR . 75.2 m80 -67.58 -47.25 70.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.721 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.52 -45.25 94.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.49 -42.88 99.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.211 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.511 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.1 p -63.31 -45.88 89.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.178 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.56 -48.55 78.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 67.0 ttp -58.38 -47.81 82.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.437 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.97 -43.5 98.71 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.13 82.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.907 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.439 ' HE ' ' HB2' ' B' ' 44' ' ' SER . 69.4 ttt-85 -58.04 -45.91 86.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.246 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.62 -44.38 96.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.149 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.72 -42.64 95.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.092 0.472 . . . . 0.0 110.01 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.636 HD12 ' HB1' ' B' ' 22' ' ' ALA . 75.3 mt -61.45 -42.53 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.175 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 83.3 m -57.82 -45.52 86.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.049 0.452 . . . . 0.0 109.852 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.497 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -63.42 -42.59 98.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.498 HD13 ' OE1' ' A' ' 93' ' ' GLU . 76.9 mt -59.95 -42.69 94.62 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.555 HD12 ' SD ' ' B' ' 41' ' ' MET . 88.1 mt -60.8 -43.16 94.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.488 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.37 -38.5 87.22 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.7 mt -62.44 -41.35 98.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.82 179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -59.3 -40.15 85.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.782 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.18 -40.28 89.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.151 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.24 -36.03 82.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.232 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 46.1 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 179.591 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.728 ' O ' HG23 ' C' ' 8' ' ' VAL . 93.8 mt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.661 0.267 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.04 -46.67 80.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 0.0 110.333 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -68.01 -35.63 78.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.303 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.495 HG11 HD11 ' C' ' 58' ' ' LEU . 78.3 t -64.24 -42.55 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.353 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.728 HG23 ' O ' ' C' ' 4' ' ' LEU . 99.4 t -60.67 -44.09 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.004 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -59.61 -41.2 89.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -42.19 96.28 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 11' ' ' LEU . 83.7 mt -62.87 -42.62 99.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.379 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.97 -44.01 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.697 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.77 -43.93 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.09 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.524 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 51.4 t-20 -61.12 -46.31 91.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.757 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.2 t -60.64 -44.45 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.118 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -43.26 98.84 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -49.77 75.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -60.36 -46.49 89.76 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -54.63 -44.6 73.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.65 -42.37 99.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.739 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.645 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.19 -49.9 76.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.31 -41.87 90.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.522 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.4 96.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.676 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.94 83.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.609 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.14 -45.76 93.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.407 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -56.41 -41.76 76.85 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.97 -43.74 98.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.904 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.04 93.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.825 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -60.47 -30.57 69.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.08 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -80.07 -1.9 41.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.431 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.17 14.35 74.78 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -97.03 80.72 2.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.834 0.35 . . . . 0.0 110.266 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -65.25 -34.96 79.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.515 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.92 77.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.677 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.06 79.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.405 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -47.56 82.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.476 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -61.68 -43.13 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.647 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.99 99.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.78 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.06 -42.35 94.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.555 ' SD ' HD12 ' C' ' 95' ' ' ILE . 72.6 mtm -63.82 -40.2 96.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.67 -45.52 93.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.914 0.388 . . . . 0.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -62.11 -39.69 93.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.333 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . 0.421 ' HB2' ' HE ' ' C' ' 88' ' ' ARG . 68.7 m -61.03 -45.22 95.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.537 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.402 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 74.3 ttt180 -60.37 -42.0 94.91 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.373 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.49 -43.4 97.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.332 0.587 . . . . 0.0 110.517 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.39 96.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.354 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.8 -40.73 95.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.734 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.19 -41.68 97.25 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.317 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -65.22 -40.66 94.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.026 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.524 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.23 -44.53 79.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.433 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.34 -39.03 89.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.321 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 42.3 mt -61.42 -44.65 96.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.12 -43.75 95.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.056 0.455 . . . . 0.0 109.97 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.544 ' OE1' ' CD2' ' C' ' 74' ' ' LEU . 5.4 tp-100 -59.76 -43.42 94.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.276 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.67 HG21 ' CG2' ' D' ' 356' ' ' THR . 20.0 m -55.97 -43.92 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.118 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.3 -41.32 93.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.544 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.495 HD11 HG11 ' C' ' 7' ' ' VAL . 96.7 mt -67.11 -39.23 86.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.75 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.846 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.497 ' O ' HG23 ' C' ' 75' ' ' VAL . 99.7 p . . . . . 0 C--O 1.226 -0.163 0 CA-C-O 121.095 0.474 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.422 HD11 ' N ' ' B' ' 72' ' ' LEU . 6.2 tt -60.57 -43.55 97.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.697 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.408 ' CG1' HG21 ' C' ' 8' ' ' VAL . 46.0 t -62.17 -45.96 97.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 130.097 3.359 . . . . 0.0 110.61 -178.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.544 ' CD2' ' OE1' ' C' ' 55' ' ' GLN . 37.1 mt -63.8 -38.24 90.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.031 0.443 . . . . 0.0 110.981 177.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.497 HG23 ' O ' ' C' ' 71' ' ' SER . 63.2 t -59.65 -47.91 89.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.16 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.18 -44.72 94.84 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.301 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.531 ' CB ' HE22 ' C' ' 55' ' ' GLN . . . -62.52 -44.18 96.98 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.881 0.372 . . . . 0.0 110.431 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -61.7 -37.76 85.32 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.232 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' C' ' 83' ' ' THR . 35.7 tp -58.07 -47.27 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.435 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.433 ' O ' ' OG1' ' C' ' 83' ' ' THR . 74.8 m80 -67.23 -47.35 71.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.733 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.43 -45.1 95.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.831 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.81 -42.27 98.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.402 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.0 p -63.69 -46.02 87.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.209 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -62.57 -48.48 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.604 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.8 ttp -58.1 -48.06 81.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.536 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.65 -43.54 98.66 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.131 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.03 82.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.931 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.421 ' HE ' ' HB2' ' C' ' 44' ' ' SER . 69.2 ttt-85 -58.17 -45.9 86.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.253 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.28 -44.57 95.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.177 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.89 -42.84 94.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.174 0.511 . . . . 0.0 110.035 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.645 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.0 mt -61.03 -42.54 93.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.379 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 78.9 m -57.8 -45.64 85.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.003 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.27 -42.69 99.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.499 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.497 HD13 ' OE1' ' B' ' 93' ' ' GLU . 77.5 mt -59.73 -42.6 93.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . 0.555 HD12 ' SD ' ' C' ' 41' ' ' MET . 87.2 mt -60.95 -43.11 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.604 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.14 -38.72 87.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.744 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.37 -41.26 98.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.907 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -59.34 -40.23 85.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.713 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.29 -39.88 88.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.5 -36.08 83.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.172 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 45.4 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.289 179.714 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.532 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 121.93 0.872 . . . . 0.0 108.926 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.463 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.68 142.98 36.89 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.36 38.7 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.961 -1.087 . . . . 0.0 109.59 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.16 149.17 28.47 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.32 18.95 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.017 -1.052 . . . . 0.0 108.408 178.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.86 144.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.7 136.57 37.05 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 122.139 0.971 . . . . 0.0 110.154 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.2 mt -84.87 114.36 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.94 -4.3 19.25 Favored 'General case' 0 C--N 1.265 -3.1 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.812 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.79 85.77 Favored Pre-proline 0 N--CA 1.499 1.996 0 O-C-N 119.657 -1.902 . . . . 0.0 110.616 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.52 -47.64 12.98 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 124.798 3.665 . . . . 0.0 114.138 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -102.16 27.57 6.55 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 116.055 -2.258 . . . . 0.0 108.721 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.55 -136.66 50.38 Favored Glycine 0 N--CA 1.497 2.75 0 C-N-CA 117.731 -2.176 . . . . 0.0 109.533 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.524 HD12 HD13 ' D' ' 355' ' ' LEU . 3.6 mt -91.54 70.5 5.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.902 -1.352 . . . . 0.0 109.455 -176.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.742 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.7 OUTLIER -60.63 176.21 0.4 Allowed 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 117.927 -1.509 . . . . 0.0 112.093 -179.315 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 3.6 p -42.89 -65.61 0.46 Allowed 'General case' 0 N--CA 1.504 2.269 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.48 ' N ' ' OG1' ' D' ' 316' ' ' THR . 4.4 tmm_? -58.03 -50.58 87.33 Favored Pre-proline 0 N--CA 1.493 1.685 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.517 -177.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.2 -32.31 63.0 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 120.854 1.036 . . . . 0.0 111.456 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.48 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.91 -38.83 86.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.244 -0.91 . . . . 0.0 109.52 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.497 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.96 -39.7 72.39 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.91 -39.45 94.19 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.497 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.68 -45.33 93.26 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.579 1.181 . . . . 0.0 108.669 -177.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.48 HG23 ' O ' ' D' ' 319' ' ' ALA . 58.0 t -62.64 -42.27 95.38 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.672 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.83 -40.32 96.33 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.184 -0.947 . . . . 0.0 109.743 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.85 -39.63 79.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.812 . . . . 0.0 109.574 178.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.03 91.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.623 -1.298 . . . . 0.0 109.481 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.24 -16.31 43.88 Favored 'General case' 0 N--CA 1.51 2.543 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.83 -10.6 86.0 Favored Glycine 0 N--CA 1.48 1.611 0 O-C-N 119.958 -1.714 . . . . 0.0 109.322 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.43 143.31 32.87 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.198 -1.766 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.61 -30.05 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.305 -0.872 . . . . 0.0 112.363 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.8 158.56 10.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.804 -1.81 . . . . 0.0 112.794 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.575 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.0 130.31 35.39 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 102.8 -3.037 . . . . 0.0 102.8 171.316 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.69 136.58 60.39 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.396 0 O-C-N 121.07 -1.018 . . . . 0.0 109.298 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -124.94 143.14 51.03 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 123.052 1.406 . . . . 0.0 110.013 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.07 129.91 61.48 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.727 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 173.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.421 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.43 119.58 26.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.899 -1.126 . . . . 0.0 108.929 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.52 122.61 39.32 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.557 -0.714 . . . . 0.0 109.907 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.66 38.99 24.2 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.819 -1.176 . . . . 0.0 112.799 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.7 10.98 83.54 Favored Glycine 0 N--CA 1.501 3.015 0 O-C-N 119.917 -1.739 . . . . 0.0 112.536 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.73 158.52 33.05 Favored 'General case' 0 C--N 1.276 -2.615 0 CA-C-O 123.772 1.748 . . . . 0.0 112.444 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.37 Favored 'General case' 0 C--N 1.279 -2.467 0 CA-C-N 112.449 -2.159 . . . . 0.0 108.629 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.63 135.95 48.78 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.92 -6.78 47.51 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.751 -1.218 . . . . 0.0 110.73 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.52 13.0 31.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.634 -1.291 . . . . 0.0 109.331 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 67.8 m -133.13 104.22 6.4 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.249 1.023 . . . . 0.0 110.108 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.2 -38.03 73.08 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.921 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -58.87 -51.36 70.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.571 -1.331 . . . . 0.0 113.016 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.41 70.47 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 119.543 -1.973 . . . . 0.0 109.26 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.81 -33.75 75.86 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.944 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.405 HE21 HG22 ' C' ' 59' ' ' ILE . 69.3 tp60 -67.66 -10.47 52.52 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.649 -0.657 . . . . 0.0 109.935 -177.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.7 p -89.84 -7.6 53.92 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 118.075 -1.45 . . . . 0.0 110.963 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.4 159.27 15.33 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.192 -0.943 . . . . 0.0 110.164 -178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.87 2.96 Favored Glycine 0 N--CA 1.485 1.943 0 N-CA-C 106.943 -2.463 . . . . 0.0 106.943 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . 0.524 HD13 HD12 ' D' ' 314' ' ' LEU . 90.5 mt -119.64 47.44 1.72 Allowed 'General case' 0 C--N 1.309 -1.194 0 O-C-N 120.708 -1.466 . . . . 0.0 107.429 -178.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.729 HG22 HG21 ' C' ' 56' ' ' THR . 6.5 p -81.47 172.53 13.4 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.183 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.69 140.97 57.31 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.869 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.22 79.07 Favored Glycine 0 N--CA 1.5 2.947 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.416 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.44 135.91 34.07 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.876 -1.367 . . . . 0.0 110.633 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.47 123.69 48.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.16 160.14 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 C-N-CA 117.343 -1.743 . . . . 0.0 110.661 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.421 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.8 m -108.97 128.34 54.86 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.585 -1.322 . . . . 0.0 107.621 175.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.82 121.39 60.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 176.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.56 147.24 50.69 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.57 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.46 47.2 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.752 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.532 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.84 6.44 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 118.508 -1.277 . . . . 0.0 108.011 178.183 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.21 -170.28 40.11 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 117.977 -2.059 . . . . 0.0 110.337 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.6 83.03 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 114.356 -0.922 . . . . 0.0 112.129 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 115.878 -2.329 . . . . 0.0 108.616 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -33.52 65.73 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -174.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.452 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.61 27.34 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.549 -1.969 . . . . 0.0 110.962 -176.536 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.85 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.55 -40.73 97.77 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 178.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.42 77.92 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 117.436 -1.706 . . . . 0.0 110.051 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.9 -42.21 88.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 122.258 1.028 . . . . 0.0 109.26 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.88 -47.98 76.41 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.965 0.888 . . . . 0.0 108.65 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.85 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.78 -38.23 76.63 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.764 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.66 -28.54 58.78 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.394 -1.441 . . . . 0.0 110.92 -174.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.48 70.64 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.29 62.81 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.19 84.3 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.503 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.45 -37.27 85.26 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.9 -1.125 . . . . 0.0 111.551 -177.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.75 61.45 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.076 -1.015 . . . . 0.0 110.293 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.81 -32.38 46.3 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.478 -0.764 . . . . 0.0 111.337 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 125.5 12.24 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 124.299 2.0 . . . . 0.0 112.911 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.812 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 76.5 mt-10 . . . . . 0 C--N 1.277 -2.569 0 CA-C-N 111.148 -2.751 . . . . 0.0 110.077 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 8' ' ' VAL . 64.4 mt . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -64.63 -47.01 80.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.88 0.371 . . . . 0.0 110.282 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -67.42 -36.23 80.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.247 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.432 HG11 HD11 ' A' ' 58' ' ' LEU . 79.7 t -63.92 -42.5 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.408 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 4' ' ' LEU . 70.6 t -61.09 -44.87 99.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.952 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -59.31 -42.06 90.48 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.44 -42.07 97.75 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.2 mt -63.45 -43.01 98.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.869 0.366 . . . . 0.0 110.185 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.16 -44.71 99.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.75 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.497 HD11 ' HB1' ' D' ' 320' ' ' ALA . 85.9 mt -63.17 -44.28 99.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.941 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -61.45 -45.01 96.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.818 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.432 ' OG ' ' OG ' ' A' ' 84' ' ' SER . 11.9 t -60.7 -45.21 95.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.031 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -42.16 99.24 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -63.62 -45.36 90.63 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.44 -48.76 79.67 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.828 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.0 -45.65 93.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.84 -44.66 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.65 -41.54 97.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.737 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.599 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -56.96 -48.57 78.03 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -59.9 -41.05 90.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.592 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.46 94.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.749 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.79 87.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.703 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.11 -44.49 97.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.443 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.4 -42.21 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.22 0.533 . . . . 0.0 109.597 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.14 -41.42 96.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.788 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.31 93.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.677 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.02 -29.36 70.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.196 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.37 -4.98 53.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.448 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.98 80.41 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -95.18 80.95 3.61 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.8 0.333 . . . . 0.0 110.238 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -65.37 -35.4 80.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.662 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -51.52 67.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.032 0.444 . . . . 0.0 110.821 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.65 81.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.306 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.67 -49.27 77.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.58 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.94 -41.35 96.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.67 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.03 94.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.4 mmm -65.06 -41.94 94.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.503 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.554 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 99.5 mmm -63.75 -39.84 95.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.612 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -62.38 -44.89 95.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.0 0.429 . . . . 0.0 110.522 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.53 -40.33 96.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.236 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.3 t -61.68 -45.72 92.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.577 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.715 ' NH2' HH12 ' A' ' 88' ' ' ARG . 62.7 ttm-85 -60.57 -42.38 96.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.342 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.2 mtt -61.7 -42.76 99.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.236 0.541 . . . . 0.0 110.61 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.84 96.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.208 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' A' ' 18' ' ' ALA . 95.3 mt -65.68 -39.79 91.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.676 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -61.27 -41.48 97.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.263 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.0 -40.06 94.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.127 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.08 79.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.511 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -61.97 -38.48 88.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.376 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -61.27 -43.11 99.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.324 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.5 t -65.52 -43.53 94.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.129 0.49 . . . . 0.0 110.071 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.633 HE22 ' CG1' ' A' ' 59' ' ' ILE . 8.2 tm0? -60.97 -42.64 98.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.21 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -56.9 -43.41 81.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.041 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.34 -38.39 89.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.54 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.432 HD11 HG11 ' A' ' 7' ' ' VAL . 97.8 mt -63.86 -28.44 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.633 ' CG1' HE22 ' A' ' 55' ' ' GLN . 71.8 mt -90.17 -31.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.472 179.93 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.463 0.201 0 CA-C-O 120.976 0.417 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.556 ' O ' HG23 ' A' ' 75' ' ' VAL . 96.6 p -130.76 161.92 30.65 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 72' ' ' LEU . 35.5 mt -57.37 -43.94 83.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.65 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.635 HG13 HG21 ' A' ' 8' ' ' VAL . 53.8 t -64.26 -47.66 88.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 120.925 0.393 . . . . 0.0 110.585 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.5 -41.68 98.53 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 71' ' ' SER . 54.0 t -58.93 -46.86 91.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.211 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.38 -45.19 92.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.787 0.327 . . . . 0.0 110.307 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.63 92.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.801 0.334 . . . . 0.0 110.656 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -62.96 -40.16 96.86 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.169 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 83' ' ' THR . 42.9 tp -57.31 -47.06 82.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.416 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -67.29 -46.95 72.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.708 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.73 -46.39 89.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.756 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.57 -44.19 97.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.244 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.8 p -62.91 -47.56 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.05 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.432 ' OG ' ' OG ' ' A' ' 15' ' ' SER . 66.0 m -61.39 -48.37 81.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.88 -48.34 80.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.55 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.36 -45.14 95.61 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.098 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -47.43 85.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.808 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.715 HH12 ' NH2' ' A' ' 45' ' ' ARG . 1.9 tmt_? -58.48 -45.68 88.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.082 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.37 -43.18 99.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.077 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.89 -42.99 97.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.114 0.483 . . . . 0.0 109.859 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.599 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.1 mt -60.95 -42.26 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.282 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.554 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 18.4 m -57.11 -46.32 82.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.005 0.431 . . . . 0.0 109.847 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.479 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.5 mt-10 -63.28 -42.78 99.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.557 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 79.8 mt -60.08 -43.25 95.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.1 -42.96 95.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.47 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.33 -38.96 88.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.757 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 97' ' ' LEU . 34.1 mt -62.37 -41.38 98.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.814 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.549 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 70.4 m80 -60.31 -39.7 87.94 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.22 -39.4 92.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.225 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.88 -38.78 92.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.255 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.417 -179.89 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.637 ' O ' HG23 ' B' ' 8' ' ' VAL . 65.3 mt . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.562 0.22 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -64.4 -47.21 80.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.91 0.386 . . . . 0.0 110.366 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -67.13 -36.19 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.211 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.405 HG11 HD11 ' B' ' 58' ' ' LEU . 79.6 t -64.13 -42.44 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.358 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 4' ' ' LEU . 71.0 t -61.11 -44.95 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.872 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mtp -59.49 -41.91 90.92 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.23 -42.37 97.92 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' B' ' 11' ' ' LEU . 34.6 mt -63.46 -42.84 98.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.308 . . . . 0.0 110.342 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.21 -44.85 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.763 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.03 -44.43 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.926 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -61.3 -45.24 95.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.854 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . 0.421 ' OG ' ' OG ' ' B' ' 84' ' ' SER . 11.6 t -60.22 -45.33 93.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.109 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.47 -42.21 99.06 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.41 -45.41 91.12 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.53 -48.43 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.945 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.25 -45.68 93.52 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.71 -44.78 81.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.61 -41.71 97.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.741 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.6 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -56.78 -48.58 77.57 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -59.87 -41.26 91.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.685 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.58 93.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.758 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.73 87.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.664 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.21 -44.75 96.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.31 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -55.21 -42.11 72.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.31 -41.54 97.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.89 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.32 92.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.703 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.71 -29.62 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.062 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -79.49 -4.85 53.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.88 11.8 80.86 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -94.92 80.56 3.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 110.341 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.32 -35.21 80.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.592 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -51.41 67.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.025 0.44 . . . . 0.0 110.786 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.37 -35.25 79.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.394 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.61 75.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.528 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.64 -41.48 95.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.538 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.53 96.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.582 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.4 mmm -64.73 -42.04 95.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 99.6 mmm -63.43 -40.47 97.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.533 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -61.75 -45.46 93.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.494 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.16 -40.39 97.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.338 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.0 t -61.41 -45.91 92.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.491 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.716 ' NH2' HH12 ' B' ' 88' ' ' ARG . 62.7 ttm-85 -60.39 -42.66 96.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.273 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.44 -42.98 99.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.301 0.572 . . . . 0.0 110.66 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.27 96.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.136 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' B' ' 18' ' ' ALA . 95.3 mt -65.2 -39.89 93.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.724 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -61.17 -41.49 96.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.393 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.99 -40.09 94.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.156 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.97 79.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.454 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -62.29 -38.29 88.81 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.339 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.38 -43.32 99.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.327 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.23 -43.68 95.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.012 0.434 . . . . 0.0 109.921 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.625 HE22 ' CG1' ' B' ' 59' ' ' ILE . 8.1 tm0? -60.87 -43.04 98.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.232 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -56.66 -43.31 80.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.935 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.38 -38.72 90.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.883 0.373 . . . . 0.0 110.557 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.405 HD11 HG11 ' B' ' 7' ' ' VAL . 97.6 mt -63.6 -28.49 69.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.625 ' CG1' HE22 ' B' ' 55' ' ' GLN . 71.9 mt -90.04 -31.75 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.855 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.463 0.181 0 CA-C-O 120.865 0.365 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.598 ' O ' HG23 ' B' ' 75' ' ' VAL . 95.6 p -130.43 164.22 25.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.566 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 72' ' ' LEU . 38.0 mt -60.08 -43.53 95.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.531 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.629 HG13 HG21 ' B' ' 8' ' ' VAL . 54.9 t -63.59 -46.82 93.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 -178.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.18 -40.91 97.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.598 HG23 ' O ' ' B' ' 71' ' ' SER . 53.4 t -59.44 -47.18 91.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.261 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.49 -44.57 93.05 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.345 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.5 90.74 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.854 0.359 . . . . 0.0 110.329 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.91 -39.84 95.76 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.497 ' O ' HG23 ' B' ' 83' ' ' THR . 43.7 tp -57.56 -46.93 83.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.394 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -67.46 -46.78 72.04 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.764 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.93 -46.25 90.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.47 -44.41 97.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.203 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.497 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.1 p -62.86 -47.3 83.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.149 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.421 ' OG ' ' OG ' ' B' ' 15' ' ' SER . 67.3 m -61.55 -48.29 81.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.651 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -57.91 -48.3 80.29 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.445 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.47 -45.21 95.21 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.131 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.53 84.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.897 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.716 HH12 ' NH2' ' B' ' 45' ' ' ARG . 1.9 tmt_? -58.17 -45.92 86.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.218 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.418 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -61.29 -43.26 99.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.12 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.7 -43.02 97.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.055 0.455 . . . . 0.0 110.011 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.6 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.3 mt -60.99 -42.26 92.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.206 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 17.8 m -57.05 -46.13 82.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.005 0.431 . . . . 0.0 109.886 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.471 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.1 mt-10 -63.52 -42.97 98.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.536 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.53 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 81.1 mt -59.64 -43.54 93.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.77 -43.15 94.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.518 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.27 -38.92 88.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.743 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' B' ' 97' ' ' LEU . 33.1 mt -62.6 -41.11 98.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.835 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.0 m80 -60.35 -39.72 88.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.32 -39.66 93.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.087 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.7 -39.1 93.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.143 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.38 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.659 ' O ' HG23 ' C' ' 8' ' ' VAL . 64.6 mt . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.59 0.233 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.53 -47.27 79.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.409 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -66.88 -36.6 82.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.294 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.411 HG11 HD11 ' C' ' 58' ' ' LEU . 79.7 t -63.85 -42.61 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.328 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.659 HG23 ' O ' ' C' ' 4' ' ' LEU . 76.4 t -60.95 -44.98 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.126 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.9 mtp -59.3 -42.01 90.31 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.22 -42.26 97.98 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' C' ' 11' ' ' LEU . 34.9 mt -63.48 -42.88 98.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 110.388 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.23 -44.55 99.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.648 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.21 -44.45 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.002 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -61.2 -45.26 95.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.8 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . 0.418 ' OG ' ' OG ' ' C' ' 84' ' ' SER . 11.7 t -60.38 -45.12 94.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.145 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.4 -42.58 99.05 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.106 -1.197 . . . . 0.0 110.106 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.33 -45.12 92.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.82 79.98 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.92 -45.79 93.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.57 -45.15 81.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.04 -41.88 97.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.688 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.599 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -56.9 -48.44 78.2 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.418 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.8 m-85 -60.07 -41.12 91.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.591 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.54 93.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.742 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.81 87.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.567 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.05 -44.62 97.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.43 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -55.57 -41.95 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.39 -41.04 96.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.927 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.21 93.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.754 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.4 -29.18 70.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.039 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.6 -4.74 52.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.528 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.96 12.09 80.24 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.18 80.79 3.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.756 0.312 . . . . 0.0 110.247 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.51 -35.19 80.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.535 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.28 -51.45 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.059 0.457 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.28 79.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.402 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.44 76.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.507 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.7 -41.71 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.582 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.21 94.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.778 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.03 -42.17 94.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.551 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 99.4 mmm -63.38 -40.22 96.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.61 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -61.89 -45.17 94.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.895 0.379 . . . . 0.0 110.46 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.31 -40.38 97.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 39.0 t -61.7 -45.91 91.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.562 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.713 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.7 ttm-85 -60.53 -41.98 95.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.303 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.9 -43.15 99.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.336 0.588 . . . . 0.0 110.554 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.46 98.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.31 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.13 -39.73 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.776 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -61.54 -41.17 96.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.358 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.17 -40.54 94.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.99 0.424 . . . . 0.0 110.056 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.35 -45.42 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.442 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -61.66 -38.6 88.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.45 -43.01 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.324 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 77.7 t -65.37 -43.45 94.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.033 0.444 . . . . 0.0 109.985 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.615 HE22 ' CG1' ' C' ' 59' ' ' ILE . 7.8 tm0? -60.91 -43.26 98.79 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.291 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.729 HG21 HG22 ' D' ' 356' ' ' THR . 17.8 m -56.43 -43.24 79.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.125 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.65 -38.36 90.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.883 0.373 . . . . 0.0 110.482 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.411 HD11 HG11 ' C' ' 7' ' ' VAL . 97.6 mt -63.74 -28.47 69.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.805 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.615 ' CG1' HE22 ' C' ' 55' ' ' GLN . 71.6 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.617 ' O ' HG23 ' C' ' 75' ' ' VAL . 95.8 p . . . . . 0 C--O 1.227 -0.083 0 CA-C-O 121.065 0.46 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' C' ' 72' ' ' LEU . 20.2 mt -61.98 -42.69 99.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.706 -177.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.576 HG13 HG21 ' C' ' 8' ' ' VAL . 55.8 t -64.85 -47.3 88.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 130.072 3.349 . . . . 0.0 110.589 -178.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.09 -40.94 91.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.059 0.456 . . . . 0.0 110.926 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.617 HG23 ' O ' ' C' ' 71' ' ' SER . 54.2 t -59.54 -47.48 90.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.226 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.54 -44.71 93.14 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.305 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.34 -44.72 90.6 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.913 0.387 . . . . 0.0 110.456 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -62.84 -39.99 96.05 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.285 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' C' ' 83' ' ' THR . 43.2 tp -57.21 -47.13 82.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.528 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 45.2 m170 -67.23 -47.05 71.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.767 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 55.6 mt -62.0 -45.96 91.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.82 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.67 -44.04 97.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.372 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.3 p -63.25 -47.18 83.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.179 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . 0.418 ' OG ' ' OG ' ' C' ' 15' ' ' SER . 66.6 m -61.76 -48.07 82.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -58.12 -48.25 80.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.711 0.291 . . . . 0.0 110.462 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.54 -45.17 95.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.168 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.87 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.908 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.713 HH12 ' NH2' ' C' ' 45' ' ' ARG . 1.9 tmt_? -57.88 -45.89 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.238 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.25 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.134 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.78 -42.73 97.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.174 0.512 . . . . 0.0 110.009 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.599 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.9 mt -61.12 -42.35 92.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.408 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.551 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 17.9 m -56.86 -46.05 82.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.048 0.451 . . . . 0.0 109.939 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.76 -43.01 97.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.557 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.6 mt -59.5 -43.32 93.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.506 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.09 -42.98 95.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.578 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -61.3 -38.84 88.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.738 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 97' ' ' LEU . 33.2 mt -62.46 -41.43 98.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.851 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 70.4 m80 -60.24 -39.99 88.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.716 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -62.06 -39.36 92.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.127 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.72 -39.18 93.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.192 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.5 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.415 -179.842 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 121.845 0.831 . . . . 0.0 109.002 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.84 143.07 36.61 Favored 'General case' 0 C--N 1.288 -2.109 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.08 156.27 38.39 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.067 -1.02 . . . . 0.0 109.552 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.24 28.58 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.28 19.01 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.087 -1.008 . . . . 0.0 108.439 178.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.31 19.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.66 136.58 36.99 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.117 0.96 . . . . 0.0 110.186 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.87 114.3 24.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.9 -4.28 19.33 Favored 'General case' 0 C--N 1.264 -3.125 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.803 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.59 141.77 85.54 Favored Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 119.765 -1.835 . . . . 0.0 110.618 178.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.45 -47.65 12.82 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 124.748 3.632 . . . . 0.0 114.146 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.542 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.1 m-20 -102.13 27.54 6.56 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 116.055 -2.258 . . . . 0.0 108.811 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.2 -142.25 47.71 Favored Glycine 0 N--CA 1.497 2.722 0 C-N-CA 117.611 -2.233 . . . . 0.0 109.618 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' D' ' 314' ' ' LEU . 13.1 tp -90.64 75.07 6.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.972 -1.311 . . . . 0.0 109.491 -177.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.644 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.7 p80 -68.72 175.63 3.45 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 117.908 -1.517 . . . . 0.0 112.102 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.457 HG23 ' H ' ' D' ' 316' ' ' THR . 12.7 p -39.35 -66.19 0.31 Allowed 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 117.337 2.347 . . . . 0.0 117.337 -177.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.447 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 1.8 tmm_? -56.56 -52.27 74.71 Favored Pre-proline 0 N--CA 1.492 1.668 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.565 -177.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.36 -32.25 61.24 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 C-N-CA 120.753 0.969 . . . . 0.0 111.492 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.504 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.95 -38.91 86.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.237 -0.914 . . . . 0.0 109.449 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.502 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.93 -39.71 72.5 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.91 -39.48 94.27 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 118.002 -1.479 . . . . 0.0 109.459 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.71 -45.27 93.52 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 122.596 1.188 . . . . 0.0 108.715 -177.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.611 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.5 t -62.69 -42.25 95.4 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.276 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.651 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.559 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.3 mttt -63.86 -40.28 96.2 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.181 -0.949 . . . . 0.0 109.812 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.77 -39.73 80.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.474 -0.766 . . . . 0.0 109.528 177.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.0 91.7 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.627 -1.296 . . . . 0.0 109.399 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . 0.611 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.8 mttp -61.31 -16.23 43.65 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.237 -0.915 . . . . 0.0 113.388 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.58 86.12 Favored Glycine 0 N--CA 1.479 1.54 0 O-C-N 119.895 -1.753 . . . . 0.0 109.247 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.405 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.5 143.35 32.83 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.183 -1.775 . . . . 0.0 110.004 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.2 p -75.6 -30.14 59.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.238 -0.914 . . . . 0.0 112.284 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.69 158.59 9.94 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.769 -1.832 . . . . 0.0 112.85 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.575 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.03 130.32 35.39 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 102.736 -3.061 . . . . 0.0 102.736 171.314 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.74 136.58 60.38 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 CA-C-O 122.191 0.996 . . . . 0.0 109.299 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -124.95 143.23 50.99 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 123.104 1.431 . . . . 0.0 109.963 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.11 129.95 61.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.731 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 173.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.46 119.54 26.34 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.812 -1.18 . . . . 0.0 108.942 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.58 122.63 39.32 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.902 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.7 39.04 24.44 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.808 -1.182 . . . . 0.0 112.751 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.56 11.06 83.59 Favored Glycine 0 N--CA 1.502 3.065 0 O-C-N 119.903 -1.748 . . . . 0.0 112.55 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.79 158.54 33.09 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-O 123.799 1.761 . . . . 0.0 112.408 -175.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.38 Favored 'General case' 0 C--N 1.279 -2.48 0 CA-C-N 112.484 -2.144 . . . . 0.0 108.613 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.61 135.97 48.84 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 173.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.02 -6.73 47.43 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.758 -1.214 . . . . 0.0 110.686 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.48 12.98 31.47 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.622 -1.299 . . . . 0.0 109.392 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 68.4 m -133.05 104.14 6.38 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 122.114 0.959 . . . . 0.0 110.169 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . 0.456 HD22 ' CE ' ' A' ' 9' ' ' MET . 53.7 tp -57.24 -37.95 73.05 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.944 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -58.85 -51.33 70.46 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.595 -1.316 . . . . 0.0 113.044 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.44 70.51 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 119.522 -1.986 . . . . 0.0 109.204 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.81 -33.69 75.75 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.951 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -67.62 -10.54 53.07 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.647 -0.658 . . . . 0.0 109.907 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 3.2 p -89.73 -7.81 53.68 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 118.123 -1.431 . . . . 0.0 110.926 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.4 mt -93.34 159.25 15.34 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.194 -0.941 . . . . 0.0 110.202 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.87 2.97 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 106.845 -2.502 . . . . 0.0 106.845 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 91.1 mt -119.64 47.37 1.73 Allowed 'General case' 0 C--N 1.309 -1.173 0 O-C-N 120.702 -1.47 . . . . 0.0 107.459 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.943 HG22 HG21 ' C' ' 56' ' ' THR . 3.7 p -81.41 172.49 13.48 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.224 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -60.66 140.91 57.28 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.872 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.45 -3.22 78.9 Favored Glycine 0 N--CA 1.5 2.947 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.358 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.4 135.88 34.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.909 -1.348 . . . . 0.0 110.609 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.7 t -96.39 123.72 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 106.376 -1.712 . . . . 0.0 106.376 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.491 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.22 160.03 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 C-N-CA 117.385 -1.726 . . . . 0.0 110.625 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.6 m -108.85 128.43 54.9 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.484 -1.385 . . . . 0.0 107.569 175.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.87 121.37 60.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.24 50.7 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.5 47.23 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 118.489 -1.284 . . . . 0.0 109.732 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.3 110.84 6.42 Favored 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 118.455 -1.298 . . . . 0.0 107.972 178.217 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.32 40.12 Favored Glycine 0 C--N 1.296 -1.678 0 C-N-CA 118.02 -2.038 . . . . 0.0 110.368 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.42 -40.5 82.64 Favored 'General case' 0 C--N 1.277 -2.545 0 CA-C-N 114.406 -0.897 . . . . 0.0 112.229 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.05 36.73 3.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 118.99 -2.319 . . . . 0.0 108.553 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.57 65.83 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -174.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.466 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.65 27.64 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 119.512 -1.993 . . . . 0.0 110.979 -176.548 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.753 ' NZ ' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.7 97.65 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.5 77.62 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 117.458 -1.697 . . . . 0.0 110.056 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.87 -42.14 88.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 CA-C-O 122.122 0.963 . . . . 0.0 109.265 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.93 -47.82 76.84 Favored 'General case' 0 C--N 1.287 -2.138 0 CA-C-O 122.096 0.951 . . . . 0.0 108.785 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.753 ' CE1' ' NZ ' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.83 -38.35 76.49 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.669 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.8 mt -75.61 -28.57 58.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.355 -1.466 . . . . 0.0 110.923 -174.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.49 70.78 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 N-CA-C 106.336 -1.728 . . . . 0.0 106.336 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.9 -49.19 63.33 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.24 84.45 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.474 177.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.491 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.33 -37.35 85.25 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.858 -1.151 . . . . 0.0 111.56 -177.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.99 -31.76 61.51 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.007 -1.058 . . . . 0.0 110.242 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.9 -32.3 45.69 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.47 -0.769 . . . . 0.0 111.337 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.0 125.45 12.1 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 124.282 1.992 . . . . 0.0 112.952 178.613 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.803 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.6 mt-10 . . . . . 0 C--N 1.276 -2.61 0 CA-C-N 111.16 -2.745 . . . . 0.0 110.097 -177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.687 ' O ' HG23 ' A' ' 8' ' ' VAL . 58.0 mt . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.19 -46.1 82.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.922 0.391 . . . . 0.0 110.322 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.39 -34.9 76.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.261 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.5 HG11 HD11 ' A' ' 58' ' ' LEU . 94.0 t -64.25 -42.58 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.384 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 4' ' ' LEU . 86.4 t -61.45 -43.44 96.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.943 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.456 ' CE ' HD22 ' D' ' 347' ' ' LEU . 91.3 mtp -58.38 -42.16 86.44 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.03 -41.96 98.37 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.558 HD21 ' HB ' ' A' ' 54' ' ' VAL . 79.9 mt -62.92 -43.06 99.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.845 0.355 . . . . 0.0 110.201 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.6 mt -62.84 -44.45 99.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.742 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.559 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 90.5 mt -63.47 -44.49 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.966 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 46.8 t-20 -61.43 -45.65 93.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.812 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -60.65 -44.69 96.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.009 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.29 -43.22 98.77 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.7 -43.67 95.93 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.82 -49.77 75.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.827 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.27 -46.81 88.52 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -54.61 -44.21 72.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.47 -42.26 98.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.774 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.655 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.5 -50.31 74.41 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.87 -42.24 93.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.577 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.53 92.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.815 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.37 -42.42 86.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.646 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.26 -45.18 95.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.455 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.53 -42.34 74.45 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.46 -41.65 94.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.848 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.31 93.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.771 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.54 -29.39 69.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.114 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -79.89 -4.85 54.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.485 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.29 74.77 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.84 80.36 3.02 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.759 0.314 . . . . 0.0 110.277 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -64.24 -35.01 79.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.69 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.12 80.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.981 0.419 . . . . 0.0 110.698 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.54 81.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.11 80.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.56 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -62.38 -42.36 99.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.569 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.74 99.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.793 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.8 mmm -64.93 -40.45 95.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.545 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.66 -39.94 95.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.65 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.9 -44.63 96.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.986 0.422 . . . . 0.0 110.593 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.69 -40.35 96.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.175 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -60.56 -46.1 91.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.494 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 62.1 ttp180 -60.16 -42.03 94.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.308 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 61.3 mtt -61.82 -42.61 99.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.2 93.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.205 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.62 -40.29 95.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.693 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.91 -41.88 96.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.298 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.17 -39.95 93.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.214 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.452 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.69 -45.38 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.504 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -61.74 -38.29 87.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.416 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -60.62 -43.78 97.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.558 ' HB ' HD21 ' A' ' 11' ' ' LEU . 74.5 t -65.55 -43.11 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.469 . . . . 0.0 110.022 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.47 ' OE1' HD13 ' A' ' 11' ' ' LEU . 45.6 tp60 -60.44 -43.99 96.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.267 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -57.08 -42.81 81.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.974 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.42 -39.96 89.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.575 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.5 HD11 HG11 ' A' ' 7' ' ' VAL . 96.6 mt -69.68 -40.56 76.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.62 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.42 -40.51 84.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.819 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.503 -179.298 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 71' ' ' SER . 16.9 m . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 121.009 0.433 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 70' ' ' VAL . 70.6 p -135.89 171.61 14.21 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.32 -44.63 84.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.6 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.508 ' CG1' HG21 ' A' ' 8' ' ' VAL . 66.1 t -62.39 -45.04 99.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.878 0.37 . . . . 0.0 110.559 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.06 -39.5 90.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.055 0.455 . . . . 0.0 110.867 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 71' ' ' SER . 56.8 t -59.94 -47.23 92.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.194 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -57.92 -46.46 84.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.41 98.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.684 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.636 HE22 ' CE1' ' B' ' 80' ' ' HIS . 59.3 tt0 -62.96 -39.69 95.43 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.141 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 83' ' ' THR . 39.7 tp -57.42 -46.77 83.16 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.359 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -67.38 -47.29 70.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.733 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.81 -45.35 94.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.767 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.98 -43.58 98.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.223 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.9 p -63.06 -47.67 81.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.11 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.9 t -61.8 -49.29 76.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.42 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -58.34 -48.03 81.85 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.519 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.02 -44.36 96.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.036 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.24 82.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.769 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 76.6 ttt-85 -58.47 -44.13 89.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.132 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.49 ' O ' ' OE2' ' A' ' 93' ' ' GLU . 78.1 mm-40 -60.28 -44.98 94.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.089 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.64 -42.14 95.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.093 0.473 . . . . 0.0 109.871 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.655 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 78.3 mt -60.52 -41.91 89.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.317 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 m -57.8 -45.7 85.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.461 . . . . 0.0 109.939 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' OE2' ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -63.32 -43.16 98.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.586 179.038 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 40.3 mt -59.4 -43.9 92.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.65 -43.19 96.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.514 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.81 -41.45 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 97' ' ' LEU . 37.0 mt -62.55 -42.58 99.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.854 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 60.9 m80 -60.62 -41.52 95.01 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -65.05 -38.49 91.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.171 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -64.42 -40.14 95.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.218 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.382 179.61 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.701 ' O ' HG23 ' B' ' 8' ' ' VAL . 58.1 mt . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.577 0.227 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.32 -46.09 81.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.326 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.11 -34.98 77.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.123 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.509 HG11 HD11 ' B' ' 58' ' ' LEU . 93.4 t -64.59 -42.35 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.355 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.701 HG23 ' O ' ' B' ' 4' ' ' LEU . 84.9 t -61.76 -43.07 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.3 mtp -58.64 -42.16 87.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.19 -41.84 98.18 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.547 HD21 ' HB ' ' B' ' 54' ' ' VAL . 80.5 mt -62.9 -43.04 99.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.717 0.294 . . . . 0.0 110.347 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.99 -44.53 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.665 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.38 -44.58 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.921 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.466 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 46.5 t-20 -61.13 -46.0 92.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.824 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.44 -44.64 95.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.145 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.33 -43.42 98.41 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.24 -43.88 96.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.75 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.905 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.19 -46.95 87.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m -54.37 -44.09 71.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.77 -42.7 97.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.642 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.65 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -59.03 -50.44 74.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.7 -42.43 93.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.662 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.72 91.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.773 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.57 86.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.671 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.23 -45.27 95.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.265 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.66 -42.18 74.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.217 0.532 . . . . 0.0 109.582 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.63 -41.54 95.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.931 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.32 93.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.763 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.54 -29.38 69.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.072 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -80.05 -4.73 53.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.377 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.1 12.94 75.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.38 80.42 3.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.762 0.315 . . . . 0.0 110.292 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -64.48 -34.89 79.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.582 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.92 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.032 0.444 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.6 81.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.389 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.5 79.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.577 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.93 -42.67 99.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.569 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.74 99.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.708 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.19 -40.63 94.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.26 -40.27 96.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.588 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.81 -44.5 96.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.438 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.6 -40.27 96.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.307 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -60.84 -45.82 93.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.56 -41.81 95.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.275 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.74 -42.59 99.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.275 0.56 . . . . 0.0 110.625 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.98 93.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.18 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.99 -40.29 94.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.713 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.68 -41.8 95.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.41 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.27 -40.27 93.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.128 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.466 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.45 -45.31 80.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.466 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.55 -38.81 88.81 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.254 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.42 -43.25 96.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.389 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.547 ' HB ' HD21 ' B' ' 11' ' ' LEU . 74.8 t -66.17 -43.19 92.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.075 0.464 . . . . 0.0 109.962 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.461 ' OE1' HD13 ' B' ' 11' ' ' LEU . 45.5 tp60 -60.44 -43.97 96.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m -56.69 -43.19 80.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.976 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.27 -40.05 89.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.895 0.378 . . . . 0.0 110.552 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.509 HD11 HG11 ' B' ' 7' ' ' VAL . 96.5 mt -69.66 -40.13 76.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.736 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.78 -40.54 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.764 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.567 -179.371 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.428 HG23 ' N ' ' B' ' 71' ' ' SER . 16.4 m . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 120.826 0.346 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.428 ' N ' HG23 ' B' ' 70' ' ' VAL . 47.0 p -135.86 172.61 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tt -59.5 -44.47 93.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.562 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.503 ' CG1' HG21 ' B' ' 8' ' ' VAL . 64.5 t -61.68 -44.14 98.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.64 -178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.47 -39.14 89.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.095 0.474 . . . . 0.0 110.989 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 71' ' ' SER . 53.5 t -60.1 -47.67 91.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.273 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.55 -46.18 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.75 99.29 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.824 0.345 . . . . 0.0 110.412 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.624 HE22 ' CE1' ' C' ' 80' ' ' HIS . 59.0 tt0 -62.66 -39.43 93.88 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.282 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.499 ' O ' HG23 ' B' ' 83' ' ' THR . 39.3 tp -57.62 -46.74 83.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.416 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.636 ' CE1' HE22 ' A' ' 78' ' ' GLN . 77.7 m80 -67.34 -47.38 70.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.719 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.7 -45.5 93.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.813 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.92 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.262 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.499 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.1 p -63.35 -47.06 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.23 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 5.3 t -62.25 -49.19 76.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.608 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -58.57 -47.72 83.32 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.777 0.323 . . . . 0.0 110.506 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.21 -44.33 96.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.17 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.76 -46.8 84.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.823 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -58.77 -44.26 90.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.214 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' B' ' 93' ' ' GLU . 77.3 mm-40 -59.98 -45.38 92.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.167 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.11 -42.26 96.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.139 0.495 . . . . 0.0 110.061 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.65 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 79.0 mt -60.5 -41.92 89.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.308 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 18.8 m -57.75 -45.82 85.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.048 0.451 . . . . 0.0 109.797 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.476 ' OE2' ' O ' ' B' ' 89' ' ' GLU . 0.8 OUTLIER -63.15 -43.27 98.77 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.159 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.548 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 41.3 mt -59.47 -44.06 93.1 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.54 -43.23 96.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.526 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.67 -41.63 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' B' ' 97' ' ' LEU . 35.7 mt -62.53 -42.69 99.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.804 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.548 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 60.7 m80 -60.19 -41.81 93.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.052 0.453 . . . . 0.0 109.793 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -64.92 -38.48 91.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.153 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -64.47 -40.16 95.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.169 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.389 179.523 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.695 ' O ' HG23 ' C' ' 8' ' ' VAL . 57.7 mt . . . . . 0 CA--C 1.522 -0.127 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.0 -46.21 82.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.833 0.349 . . . . 0.0 110.386 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.22 -34.62 76.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.292 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.509 HG11 HD11 ' C' ' 58' ' ' LEU . 90.9 t -64.68 -42.55 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.389 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.695 HG23 ' O ' ' C' ' 4' ' ' LEU . 84.3 t -61.53 -43.04 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.069 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.7 mtp -58.7 -42.3 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.86 -41.81 98.65 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.572 HD21 ' HB ' ' C' ' 54' ' ' VAL . 80.3 mt -62.91 -43.24 99.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 0.0 110.353 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.97 -44.23 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.646 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.31 -44.53 99.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.447 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 46.4 t-20 -61.58 -45.76 92.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.784 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -60.56 -44.69 95.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.15 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.1 99.13 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.72 -43.74 95.65 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.76 75.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.799 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.41 -46.79 88.75 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 48.9 m -54.63 -44.32 73.08 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.3 -42.42 99.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.737 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.653 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.63 -50.14 75.02 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.81 -42.68 94.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.508 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.41 91.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.705 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.34 87.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.574 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.38 -44.95 96.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.387 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.05 -41.97 75.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.534 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.57 -41.56 94.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.96 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.55 93.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.852 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.3 -29.65 70.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.068 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -79.62 -4.73 52.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.471 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.23 74.93 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.73 80.86 3.1 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.736 0.303 . . . . 0.0 110.327 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -64.71 -34.78 79.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.539 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.39 79.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.443 . . . . 0.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.18 80.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.415 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -48.14 79.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.492 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -61.99 -42.73 99.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.551 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.05 -42.69 99.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.776 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.22 -40.56 94.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 91.6 mmm -63.26 -40.48 97.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.625 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.47 -44.78 96.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.934 0.397 . . . . 0.0 110.456 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.67 -40.12 96.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -60.62 -46.07 91.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.491 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.26 -42.0 94.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.335 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.77 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.307 0.575 . . . . 0.0 110.575 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.93 95.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.3 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' C' ' 48' ' ' LEU . 92.3 mt -65.09 -40.46 94.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.731 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.78 -41.91 96.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.331 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.13 -40.04 93.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.024 0.44 . . . . 0.0 110.031 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.447 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.58 -45.67 78.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.411 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.542 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 60.1 t-80 -61.32 -38.63 87.57 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.364 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.62 -43.37 97.55 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.323 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . 0.572 ' HB ' HD21 ' C' ' 11' ' ' LEU . 74.4 t -65.81 -43.42 93.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.024 0.44 . . . . 0.0 109.932 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.474 ' OE1' HD13 ' C' ' 11' ' ' LEU . 45.4 tp60 -60.28 -44.01 95.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.253 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.943 HG21 HG22 ' D' ' 356' ' ' THR . 19.8 m -56.93 -42.68 80.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.185 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.7 -39.63 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.542 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.509 HD11 HG11 ' C' ' 7' ' ' VAL . 96.8 mt -69.87 -40.23 75.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.826 179.725 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.439 ' O ' HG23 ' C' ' 75' ' ' VAL . 37.9 p . . . . . 0 C--O 1.226 -0.177 0 CA-C-O 121.059 0.457 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.96 -45.12 93.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.699 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.488 HG13 HG21 ' C' ' 8' ' ' VAL . 65.2 t -62.2 -44.71 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 129.996 3.319 . . . . 0.0 110.615 -178.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.11 -39.11 93.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.099 0.476 . . . . 0.0 111.073 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.439 HG23 ' O ' ' C' ' 71' ' ' SER . 56.1 t -60.28 -47.97 90.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.201 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.95 -45.84 86.03 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.292 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.46 99.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.885 0.374 . . . . 0.0 110.399 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -62.97 -39.23 94.07 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.234 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.497 ' O ' HG23 ' C' ' 83' ' ' THR . 39.2 tp -57.77 -46.85 83.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.474 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.624 ' CE1' HE22 ' B' ' 78' ' ' GLN . 77.8 m80 -67.32 -47.32 70.88 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.762 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.67 -45.71 92.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.888 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -61.47 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.385 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.497 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.6 p -63.43 -47.44 81.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.192 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -61.46 -49.65 75.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -58.2 -48.21 81.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.499 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.78 -44.42 96.92 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.159 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -46.94 83.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.864 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -58.68 -44.5 90.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.191 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . 0.506 ' O ' ' OE2' ' C' ' 93' ' ' GLU . 77.6 mm-40 -59.64 -45.44 91.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.908 0.385 . . . . 0.0 110.194 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.31 -42.35 96.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 109.999 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.653 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 77.2 mt -60.18 -42.16 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.417 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 18.2 m -57.52 -45.68 84.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.551 -0.459 . . . . 0.0 109.944 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . 0.506 ' OE2' ' O ' ' C' ' 89' ' ' GLU . 0.7 OUTLIER -63.34 -42.86 98.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.496 179.213 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.568 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 41.6 mt -59.84 -43.92 94.36 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.52 -43.47 96.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.592 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -60.26 -41.68 93.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.723 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' C' ' 97' ' ' LEU . 36.8 mt -62.38 -42.65 99.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.942 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.568 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 60.5 m80 -60.68 -41.4 95.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -65.1 -38.63 91.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.093 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -64.15 -40.45 96.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.233 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.314 179.724 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.527 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 121.923 0.868 . . . . 0.0 108.945 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.79 143.03 36.7 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.24 38.4 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.031 -1.043 . . . . 0.0 109.576 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.36 18.92 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.97 -1.082 . . . . 0.0 108.414 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.89 144.33 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.66 136.57 37.0 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 122.138 0.971 . . . . 0.0 110.113 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.41 25.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.95 -4.4 19.14 Favored 'General case' 0 C--N 1.264 -3.146 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.815 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.44 141.79 85.95 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 119.678 -1.889 . . . . 0.0 110.587 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -45.48 -47.68 12.83 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 124.795 3.663 . . . . 0.0 114.131 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -102.15 27.55 6.56 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 116.117 -2.233 . . . . 0.0 108.71 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.08 -145.46 43.99 Favored Glycine 0 N--CA 1.496 2.685 0 C-N-CA 117.67 -2.205 . . . . 0.0 109.645 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.3 tp -88.62 79.45 7.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.899 -1.353 . . . . 0.0 109.56 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.43 ' CE1' ' H ' ' D' ' 317' ' ' ARG . 2.6 p80 -75.76 177.24 7.03 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 117.876 -1.53 . . . . 0.0 112.136 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 43.1 p -36.36 -68.65 0.13 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.536 ' NH2' ' OG ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -57.03 -52.44 74.08 Favored Pre-proline 0 N--CA 1.492 1.665 0 C-N-CA 120.136 -0.626 . . . . 0.0 112.538 -176.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.26 -32.18 62.42 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 CA-C-N 119.448 0.839 . . . . 0.0 111.571 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.468 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.03 -38.82 86.61 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.426 -0.91 . . . . 0.0 109.47 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.66 72.61 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -64.03 -39.3 93.78 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.964 -1.495 . . . . 0.0 109.48 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.78 -45.3 93.29 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.664 1.221 . . . . 0.0 108.693 -177.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.468 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.2 t -62.61 -42.29 95.41 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.63 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.93 -40.2 95.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.356 -0.84 . . . . 0.0 109.771 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.534 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.78 -39.75 80.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.394 -0.816 . . . . 0.0 109.543 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.04 91.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.612 -1.305 . . . . 0.0 109.384 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.3 -16.22 43.5 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.59 86.12 Favored Glycine 0 N--CA 1.479 1.528 0 O-C-N 119.88 -1.763 . . . . 0.0 109.262 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.4 143.34 32.83 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.289 -1.713 . . . . 0.0 110.036 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.2 p -75.64 -29.99 59.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.329 -0.857 . . . . 0.0 112.342 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.82 158.54 10.32 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 119.873 -1.767 . . . . 0.0 112.843 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.581 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.28 35.4 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 102.835 -3.024 . . . . 0.0 102.835 171.301 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.75 136.52 60.56 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 CA-C-O 122.257 1.027 . . . . 0.0 109.3 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.91 143.18 50.99 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-O 123.144 1.449 . . . . 0.0 109.983 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.443 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.1 129.88 61.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 173.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.39 119.66 26.69 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.882 -1.136 . . . . 0.0 108.967 -178.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.62 122.58 39.17 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.524 -0.735 . . . . 0.0 109.884 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.69 38.99 24.29 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.976 -1.078 . . . . 0.0 112.763 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 11.06 83.46 Favored Glycine 0 N--CA 1.502 3.039 0 O-C-N 119.941 -1.724 . . . . 0.0 112.469 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.9 136.28 54.56 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 105.21 -2.144 . . . . 0.0 105.21 177.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.78 158.51 33.16 Favored 'General case' 0 C--N 1.276 -2.593 0 CA-C-O 123.825 1.774 . . . . 0.0 112.442 -176.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.65 151.41 31.44 Favored 'General case' 0 C--N 1.28 -2.451 0 CA-C-N 112.417 -2.174 . . . . 0.0 108.527 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.56 136.0 48.94 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 173.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.443 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.03 -6.78 47.8 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.734 -1.229 . . . . 0.0 110.688 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.49 12.97 31.53 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.686 -1.259 . . . . 0.0 109.375 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 69.5 m -133.06 104.2 6.41 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 122.189 0.995 . . . . 0.0 110.191 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.27 -37.88 73.04 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.934 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . 0.463 ' CE2' ' OE2' ' A' ' 5' ' ' GLU . 57.6 m-85 -58.86 -51.43 70.06 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.571 -1.33 . . . . 0.0 113.054 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.02 -32.46 70.63 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 119.569 -1.957 . . . . 0.0 109.224 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.76 -33.77 75.86 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.96 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -67.64 -10.44 52.17 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.653 -0.654 . . . . 0.0 109.951 -177.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.6 p -89.75 -7.69 53.92 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 118.071 -1.451 . . . . 0.0 110.937 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.43 159.27 15.32 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.242 -0.911 . . . . 0.0 110.11 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.88 2.97 Favored Glycine 0 N--CA 1.486 2.004 0 N-CA-C 106.901 -2.479 . . . . 0.0 106.901 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.0 mt -119.54 47.29 1.74 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.728 -1.454 . . . . 0.0 107.4 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.851 HG22 HG21 ' C' ' 56' ' ' THR . 5.0 p -81.45 172.61 13.31 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.22 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.74 140.94 57.38 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.837 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.21 79.03 Favored Glycine 0 N--CA 1.5 2.958 0 C-N-CA 120.014 -1.089 . . . . 0.0 111.395 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.48 135.91 34.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.955 -1.321 . . . . 0.0 110.664 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.5 123.73 48.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.7 m -112.17 160.06 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 117.419 -1.712 . . . . 0.0 110.65 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.85 128.37 54.85 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.487 -1.383 . . . . 0.0 107.592 175.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.84 121.41 60.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.34 50.71 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -179.591 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.83 153.38 47.05 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 118.496 -1.282 . . . . 0.0 109.712 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.527 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.76 6.42 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 118.593 -1.243 . . . . 0.0 108.084 178.19 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.31 40.17 Favored Glycine 0 C--N 1.296 -1.673 0 C-N-CA 118.067 -2.016 . . . . 0.0 110.404 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.41 -40.65 83.03 Favored 'General case' 0 C--N 1.276 -2.606 0 CA-C-N 114.392 -0.904 . . . . 0.0 112.146 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.95 36.72 3.56 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 115.921 -2.312 . . . . 0.0 108.667 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.52 65.82 Favored 'General case' 0 N--CA 1.521 3.076 0 N-CA-C 116.824 2.157 . . . . 0.0 116.824 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.445 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.65 27.45 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 119.578 -1.951 . . . . 0.0 110.953 -176.546 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.767 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.54 -40.66 97.6 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 178.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.59 77.29 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 117.551 -1.659 . . . . 0.0 109.972 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.85 -42.18 88.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-O 122.176 0.989 . . . . 0.0 109.286 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.86 -47.91 76.46 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-O 122.006 0.908 . . . . 0.0 108.776 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.767 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.74 -38.32 76.8 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.736 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.441 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.61 -28.69 58.96 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.426 -1.421 . . . . 0.0 110.835 -174.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.39 -39.49 71.72 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.454 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.2 63.24 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.534 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.19 84.36 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.98 -1.088 . . . . 0.0 110.547 177.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.36 85.43 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.968 -1.083 . . . . 0.0 111.54 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.83 61.65 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.041 -1.037 . . . . 0.0 110.213 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.29 45.8 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.511 -0.743 . . . . 0.0 111.333 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.51 12.39 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 124.308 2.004 . . . . 0.0 112.923 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.815 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 14.2 pt-20 . . . . . 0 C--N 1.276 -2.594 0 CA-C-N 111.165 -2.743 . . . . 0.0 110.118 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.1 mt . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.463 ' OE2' ' CE2' ' D' ' 348' ' ' PHE . 81.9 tt0 -63.73 -45.85 88.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.89 0.376 . . . . 0.0 110.273 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.39 -36.89 85.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.229 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.7 t -63.47 -42.97 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.43 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 4' ' ' LEU . 94.5 t -60.39 -46.42 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.931 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mtp -59.1 -41.0 87.08 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.54 -41.58 97.83 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.41 HD21 ' HB ' ' A' ' 54' ' ' VAL . 31.8 mt -63.77 -43.27 96.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.235 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.46 -44.77 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.786 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.52 -44.17 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.99 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.515 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 51.2 t-20 -61.73 -45.72 92.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.789 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 76.6 p -60.55 -44.29 96.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.977 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.35 98.39 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -62.91 -42.01 99.64 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.99 79.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.859 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -60.5 -47.21 87.15 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.536 ' OG ' ' NH2' ' D' ' 317' ' ' ARG . 49.9 m -53.67 -44.6 69.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.23 -42.26 99.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.654 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.21 -49.95 75.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -60.16 -42.55 95.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.588 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.45 89.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.733 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.57 84.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.727 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.22 -44.77 96.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.451 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.96 -42.38 76.15 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.74 -41.45 95.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.746 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.46 93.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.743 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.81 -28.76 69.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.169 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -80.72 -5.06 56.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.449 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.66 13.61 75.2 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.59 79.88 3.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.793 0.33 . . . . 0.0 110.3 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -65.28 -35.39 80.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.7 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -50.48 70.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.085 0.469 . . . . 0.0 110.783 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.71 80.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.43 79.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.599 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.29 -42.92 96.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.595 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.8 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.01 -41.3 95.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.465 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 99.0 mmm -63.44 -39.93 95.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.67 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.84 -44.49 95.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.994 0.426 . . . . 0.0 110.544 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.94 -40.93 97.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.277 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.5 t -61.64 -45.6 93.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -61.15 -42.25 98.21 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.313 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.94 -43.69 98.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.252 0.549 . . . . 0.0 110.627 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.4 99.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.218 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.06 -39.97 90.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.669 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.09 -42.58 94.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.238 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.05 -40.3 94.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.224 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.515 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.77 -45.06 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.479 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.63 -39.01 89.78 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.41 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.2 mt -60.57 -43.56 97.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.41 ' HB ' HD21 ' A' ' 11' ' ' LEU . 74.4 t -66.1 -43.5 92.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.076 0.465 . . . . 0.0 110.063 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 56' ' ' THR . 0.8 OUTLIER -61.42 -43.71 98.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.236 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.598 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 19.1 m -59.93 -42.2 93.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -59.6 -34.44 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.489 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.514 HD22 HD22 ' A' ' 4' ' ' LEU . 92.6 mt -70.92 -60.66 2.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.533 HD12 ' NE2' ' A' ' 55' ' ' GLN . 73.8 mt -56.81 -35.72 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.859 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.524 -179.657 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.462 0.141 0 CA-C-O 120.95 0.405 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.59 ' O ' HG23 ' A' ' 75' ' ' VAL . 85.6 p -134.21 167.58 20.43 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -56.93 -44.96 83.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.701 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.584 HG13 HG21 ' A' ' 8' ' ' VAL . 77.4 t -63.98 -48.18 87.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.865 0.364 . . . . 0.0 110.562 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.468 HD22 ' CG1' ' A' ' 59' ' ' ILE . 90.0 mt -63.27 -40.77 98.33 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 71' ' ' SER . 53.6 t -59.22 -47.66 89.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.094 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.89 -44.38 94.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.822 0.344 . . . . 0.0 110.328 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.67 -45.46 86.61 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.676 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.46 -40.57 97.06 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.181 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 83' ' ' THR . 46.8 tp -57.15 -46.82 82.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -67.49 -46.89 71.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.737 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.62 -45.33 94.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.806 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.98 -43.53 98.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.214 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.0 p -63.06 -47.02 84.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.089 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 m -61.64 -48.63 79.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.464 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.98 -48.31 80.38 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.676 0.274 . . . . 0.0 110.519 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.49 -44.79 96.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.0 110.064 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.08 -47.59 82.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.825 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -58.95 -44.78 91.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.082 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.89 -43.79 98.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.042 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.91 -42.53 94.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.127 0.489 . . . . 0.0 109.904 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.612 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.0 mt -60.47 -41.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.279 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 16.0 m -57.09 -45.75 83.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.026 0.441 . . . . 0.0 109.845 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.75 -43.67 95.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.664 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.521 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.5 mt -59.66 -44.04 93.73 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.8 mt -61.61 -43.56 97.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.525 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -61.0 -39.78 91.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.125 0.488 . . . . 0.0 109.772 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 97' ' ' LEU . 35.0 mt -62.33 -41.47 98.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.822 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 61.7 m80 -60.4 -40.01 89.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.54 -39.56 94.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.252 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.04 -39.23 93.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.19 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.387 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.603 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.1 mt . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.665 0.269 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.72 -45.66 88.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 110.297 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.48 -36.83 85.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.241 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.81 -42.68 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.603 HG23 ' O ' ' B' ' 4' ' ' LEU . 96.4 t -60.78 -46.2 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.881 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.0 mtp -59.04 -41.28 87.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -41.75 97.77 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.435 HD21 ' HB ' ' B' ' 54' ' ' VAL . 32.2 mt -63.38 -43.5 97.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 0.0 110.37 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.45 -44.68 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.679 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.54 -44.33 98.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.926 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.2 t-20 -61.47 -45.66 93.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.833 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 79.5 p -60.73 -44.22 96.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.129 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.12 98.83 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.034 -1.227 . . . . 0.0 110.034 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.13 -42.41 99.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.32 -49.08 78.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.924 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -60.55 -46.94 88.33 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.7 m -54.04 -44.28 70.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.39 -42.71 98.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.726 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.626 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.0 -49.96 75.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.78 -42.8 94.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.688 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.19 -41.81 89.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.671 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.14 83.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.578 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.86 -45.0 96.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.323 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.92 -42.06 75.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.8 -41.52 95.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.873 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.35 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.769 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.61 -29.12 69.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.029 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -80.55 -5.1 56.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.76 13.5 75.17 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.24 79.29 3.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.778 0.323 . . . . 0.0 110.323 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -65.18 -35.57 81.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.605 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -50.82 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.986 0.422 . . . . 0.0 110.782 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.99 81.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.419 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.5 79.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.39 -42.7 96.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.561 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.59 92.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.72 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.18 -41.28 94.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.561 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.9 mmm -63.34 -40.43 97.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.595 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.45 -44.73 95.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.43 -41.51 98.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.31 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -61.17 -46.33 90.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.489 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.44 -42.45 96.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.287 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.85 -43.72 97.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.24 99.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.184 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.98 -39.99 90.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.766 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 53.2 t-20 -60.24 -42.38 95.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.334 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.27 -40.09 93.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.117 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.528 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.99 -45.04 78.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.461 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.59 -38.82 88.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.278 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.85 -43.38 98.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.344 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.435 ' HB ' HD21 ' B' ' 11' ' ' LEU . 79.8 t -65.98 -43.56 92.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.038 0.447 . . . . 0.0 110.057 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.602 ' OE1' ' N ' ' B' ' 56' ' ' THR . 0.8 OUTLIER -61.51 -43.64 98.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.248 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.602 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 19.6 m -60.09 -42.16 94.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.925 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -59.7 -34.23 72.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 0.0 110.523 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.513 HD22 HD22 ' B' ' 4' ' ' LEU . 92.3 mt -71.07 -60.64 2.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.544 HD12 ' NE2' ' B' ' 55' ' ' GLN . 72.5 mt -56.85 -35.76 47.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.817 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.598 -179.796 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.867 0.365 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.618 ' O ' HG23 ' B' ' 75' ' ' VAL . 93.5 p -133.86 169.39 17.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.557 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.53 -44.85 93.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.552 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.573 HG13 HG21 ' B' ' 8' ' ' VAL . 79.0 t -62.86 -47.13 94.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.629 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.464 HD22 ' CG1' ' B' ' 59' ' ' ILE . 90.8 mt -63.86 -40.42 96.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.618 HG23 ' O ' ' B' ' 71' ' ' SER . 54.6 t -59.51 -47.36 91.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.275 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.48 -44.1 96.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.366 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.09 88.11 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.838 0.352 . . . . 0.0 110.408 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.77 -40.31 96.9 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.229 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.5 ' O ' HG23 ' B' ' 83' ' ' THR . 47.1 tp -57.55 -46.51 83.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.373 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -67.87 -46.81 70.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.725 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.68 -45.3 94.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.862 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.77 -43.6 98.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.26 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.5 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.8 p -63.06 -46.96 85.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.157 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 66.3 m -61.55 -48.73 79.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.83 -48.33 80.06 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.52 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.7 -44.28 97.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.095 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.75 82.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.918 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -58.69 -44.78 90.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.234 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -61.66 -44.41 97.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.181 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 73.9 mt -64.38 -42.55 96.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.071 0.462 . . . . 0.0 110.014 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.626 HD12 ' HB1' ' B' ' 22' ' ' ALA . 76.9 mt -60.47 -41.88 89.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.255 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.561 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 15.2 m -57.22 -45.85 83.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.085 0.469 . . . . 0.0 109.853 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.34 -44.19 95.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.511 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.517 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.5 mt -59.48 -44.03 93.15 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.59 -43.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.498 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.26 -40.04 92.58 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.3 mt -62.15 -41.68 98.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.843 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 61.6 m80 -59.92 -40.12 87.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.749 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.53 -39.66 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.146 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.17 -39.23 93.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.173 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.36 179.75 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.592 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.9 mt . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 120.594 0.235 . . . . 0.0 110.448 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -63.66 -45.69 88.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.823 0.344 . . . . 0.0 110.417 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.3 -37.03 85.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.302 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.39 -42.87 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.315 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.592 HG23 ' O ' ' C' ' 4' ' ' LEU . 94.8 t -60.6 -46.35 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.953 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -58.84 -41.41 86.87 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -42.12 98.15 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' C' ' 11' ' ' LEU . 32.6 mt -63.23 -43.43 98.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.383 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.46 -44.52 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.676 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.58 -44.57 98.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.079 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.517 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 49.5 t-20 -61.27 -45.86 92.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.758 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.0 p -60.38 -44.46 95.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.139 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.12 -43.26 98.97 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.0 -42.18 99.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.8 -48.83 79.9 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -60.82 -46.63 89.81 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -54.3 -44.35 71.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.45 -42.01 98.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.71 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.622 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.43 -50.27 74.6 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.71 -42.68 93.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.55 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.68 -41.26 90.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.76 84.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.622 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.15 -44.97 96.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.413 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -55.96 -42.09 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.77 -41.76 96.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.902 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.24 92.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.837 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.69 -29.23 69.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.067 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.21 -5.36 55.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.495 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.98 13.68 74.12 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.68 80.04 3.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.799 0.333 . . . . 0.0 110.282 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -65.91 -35.13 79.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.543 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.53 70.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.08 0.466 . . . . 0.0 110.732 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.59 83.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.332 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.1 77.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.434 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.597 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.96 92.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.719 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -64.95 -41.38 95.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.581 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 99.0 mmm -63.19 -40.34 97.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.667 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.63 -44.57 95.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.471 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.6 -41.41 98.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.346 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 38.2 t -61.26 -46.04 92.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.6 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.82 -42.13 97.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.404 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -61.13 -43.66 98.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.32 0.581 . . . . 0.0 110.492 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.58 99.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.373 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.88 -39.82 91.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.788 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.24 -42.48 95.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.326 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.11 -40.47 94.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.013 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.517 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.63 -45.28 79.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.441 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.63 -38.53 87.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.31 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.21 -43.31 99.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.255 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . 0.43 ' HB ' HD21 ' C' ' 11' ' ' LEU . 73.2 t -65.81 -43.86 93.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.028 0.442 . . . . 0.0 109.997 179.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.6 ' OE1' ' N ' ' C' ' 56' ' ' THR . 0.8 OUTLIER -61.32 -44.09 97.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.301 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.851 HG21 HG22 ' D' ' 356' ' ' THR . 19.3 m -59.6 -42.0 91.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.107 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -60.07 -34.08 72.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.929 0.395 . . . . 0.0 110.468 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.534 HD22 HD22 ' C' ' 4' ' ' LEU . 93.1 mt -70.73 -60.6 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.79 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.538 HD12 ' NE2' ' C' ' 55' ' ' GLN . 71.8 mt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.869 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.626 ' O ' HG23 ' C' ' 75' ' ' VAL . 91.2 p . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 121.016 0.436 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.71 -43.78 98.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.712 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.577 HG13 HG21 ' C' ' 8' ' ' VAL . 72.5 t -64.38 -47.05 91.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 130.098 3.359 . . . . 0.0 110.658 -178.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.48 HD22 ' CG1' ' C' ' 59' ' ' ILE . 93.6 mt -66.29 -40.35 89.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.026 178.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.626 HG23 ' O ' ' C' ' 71' ' ' SER . 53.4 t -59.5 -48.11 88.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.17 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.11 -44.48 94.84 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.325 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.12 88.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.895 0.378 . . . . 0.0 110.436 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . 0.402 ' HG2' HE21 ' C' ' 55' ' ' GLN . 85.1 mt-30 -62.82 -40.52 97.64 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.242 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.492 ' O ' HG23 ' C' ' 83' ' ' THR . 47.7 tp -57.22 -46.71 82.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.543 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -67.75 -46.85 70.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.781 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . 0.402 HD21 ' HB1' ' C' ' 51' ' ' ALA . 14.8 mt -61.5 -45.36 94.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.811 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.1 mmm -61.89 -43.09 99.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.371 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.492 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.7 p -63.55 -46.78 84.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.165 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -61.84 -48.42 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.95 -48.6 79.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 110.535 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.41 -44.74 96.61 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.191 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.02 80.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.954 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -58.46 -45.2 89.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.306 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.21 -44.29 97.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.19 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.4 mt -64.59 -42.91 95.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.183 0.516 . . . . 0.0 109.996 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.622 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.7 mt -60.05 -41.77 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.438 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 14.4 m -57.36 -45.66 84.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.049 0.452 . . . . 0.0 109.978 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.73 -43.81 95.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.508 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.51 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 86.3 mt -59.54 -43.84 93.38 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.9 -43.07 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.63 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -61.26 -40.14 92.96 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.05 -41.55 98.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.881 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.51 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 62.1 m80 -60.23 -40.32 89.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.48 -39.63 94.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.166 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -39.35 94.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.213 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.323 179.921 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.527 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.701 0 CA-C-O 121.956 0.884 . . . . 0.0 108.955 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.469 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.0 t80 -139.78 143.04 36.71 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.29 38.48 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.908 -1.12 . . . . 0.0 109.517 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.14 149.21 28.53 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.32 18.97 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.992 -1.067 . . . . 0.0 108.342 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.8 144.37 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.65 136.59 36.96 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 122.137 0.97 . . . . 0.0 110.127 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.99 114.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.83 -4.25 19.48 Favored 'General case' 0 C--N 1.264 -3.121 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.52 141.77 85.73 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 119.722 -1.861 . . . . 0.0 110.648 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.42 -47.68 12.7 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 124.828 3.685 . . . . 0.0 114.127 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -102.16 27.49 6.63 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 116.085 -2.246 . . . . 0.0 108.821 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.47 -142.71 46.8 Favored Glycine 0 N--CA 1.496 2.685 0 C-N-CA 117.766 -2.159 . . . . 0.0 109.547 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.3 tp -88.23 74.27 8.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.826 -1.396 . . . . 0.0 109.492 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.648 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.8 p80 -67.72 176.6 2.4 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 117.889 -1.524 . . . . 0.0 112.078 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 37.2 p -39.82 -68.22 0.18 Allowed 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 117.252 2.316 . . . . 0.0 117.252 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 7.2 tmm_? -56.92 -50.65 86.91 Favored Pre-proline 0 N--CA 1.492 1.672 0 C-N-CA 120.196 -0.602 . . . . 0.0 112.552 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.34 -32.23 61.51 Favored 'Trans proline' 0 C--N 1.318 -1.034 0 CA-C-N 119.525 0.866 . . . . 0.0 111.48 -178.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.488 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.0 -38.86 86.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.22 -0.925 . . . . 0.0 109.474 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.95 -39.65 72.48 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -64.01 -39.4 94.03 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 117.987 -1.485 . . . . 0.0 109.462 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.63 -45.35 93.25 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 122.609 1.195 . . . . 0.0 108.723 -177.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.488 HG23 ' O ' ' D' ' 319' ' ' ALA . 57.8 t -62.57 -42.29 95.33 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.663 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.49 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 96.9 mttt -63.95 -40.18 95.84 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.273 -0.892 . . . . 0.0 109.761 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.84 -39.69 79.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.4 -0.812 . . . . 0.0 109.578 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.9 91.84 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.672 -1.268 . . . . 0.0 109.482 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.39 -16.2 44.14 Favored 'General case' 0 N--CA 1.511 2.586 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.51 86.16 Favored Glycine 0 N--CA 1.478 1.439 0 O-C-N 119.935 -1.728 . . . . 0.0 109.312 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.411 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.45 143.38 32.78 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.22 -1.753 . . . . 0.0 110.01 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.9 p -75.61 -30.08 59.44 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.262 -0.899 . . . . 0.0 112.318 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.79 158.55 10.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.757 -1.839 . . . . 0.0 112.721 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.583 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.35 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 102.867 -3.012 . . . . 0.0 102.867 171.2 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.7 136.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 CA-C-O 122.186 0.994 . . . . 0.0 109.286 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -124.93 143.2 51.0 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-O 123.083 1.42 . . . . 0.0 109.967 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.06 129.94 61.41 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.732 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 173.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.8 m -127.44 119.5 26.26 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.907 -1.121 . . . . 0.0 108.946 -178.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.2 t -122.51 122.56 39.21 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.576 -0.703 . . . . 0.0 109.904 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.81 38.92 24.5 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.861 -1.149 . . . . 0.0 112.737 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.01 83.54 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 119.97 -1.706 . . . . 0.0 112.484 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.204 -2.147 . . . . 0.0 105.204 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.83 158.53 33.2 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.751 1.738 . . . . 0.0 112.446 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.38 31.4 Favored 'General case' 0 C--N 1.278 -2.528 0 CA-C-N 112.495 -2.139 . . . . 0.0 108.565 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.59 135.9 48.81 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 173.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.442 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.89 -6.87 48.04 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.61 -1.306 . . . . 0.0 110.754 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.45 12.94 31.56 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.642 -1.286 . . . . 0.0 109.41 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.3 t -133.1 104.16 6.38 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 122.2 1.0 . . . . 0.0 110.143 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . 0.433 HD22 ' CE ' ' A' ' 9' ' ' MET . 55.6 tp -57.16 -37.93 72.81 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.025 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.87 -51.39 70.21 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.57 -1.331 . . . . 0.0 113.038 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.01 -32.46 70.63 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 119.606 -1.933 . . . . 0.0 109.234 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.86 -33.75 75.92 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.876 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -67.64 -10.42 51.97 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.641 -0.662 . . . . 0.0 109.994 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.1 p -89.8 -7.75 53.67 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 118.082 -1.447 . . . . 0.0 110.939 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.32 159.27 15.34 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.257 -0.902 . . . . 0.0 110.222 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.63 104.85 2.96 Favored Glycine 0 N--CA 1.486 2.006 0 N-CA-C 106.91 -2.476 . . . . 0.0 106.91 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . 0.433 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.7 mt -119.59 47.29 1.74 Allowed 'General case' 0 C--N 1.309 -1.189 0 O-C-N 120.653 -1.499 . . . . 0.0 107.466 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.966 HG22 HG21 ' C' ' 56' ' ' THR . 4.5 p -81.39 172.51 13.46 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.307 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.65 140.88 57.29 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.941 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.43 -3.1 78.88 Favored Glycine 0 N--CA 1.501 3.001 0 C-N-CA 120.052 -1.071 . . . . 0.0 111.349 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.3 m -84.48 135.99 34.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.959 -1.318 . . . . 0.0 110.543 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.1 t -96.55 123.69 48.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.491 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.13 160.15 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.278 0 C-N-CA 117.379 -1.728 . . . . 0.0 110.661 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.9 m -108.93 128.36 54.87 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.5 -1.375 . . . . 0.0 107.55 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.78 121.39 60.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 176.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.62 147.25 50.71 Favored 'General case' 0 C--N 1.285 -2.206 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 -179.57 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.39 47.17 Favored 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 118.501 -1.28 . . . . 0.0 109.741 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.527 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.75 6.41 Favored 'General case' 0 C--N 1.287 -2.127 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.075 178.179 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.24 40.14 Favored Glycine 0 C--N 1.295 -1.695 0 C-N-CA 117.995 -2.05 . . . . 0.0 110.382 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.46 -40.56 82.98 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.405 -0.898 . . . . 0.0 112.175 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.08 36.86 3.52 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 115.847 -2.341 . . . . 0.0 108.561 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.44 -33.48 65.91 Favored 'General case' 0 N--CA 1.522 3.137 0 N-CA-C 116.872 2.175 . . . . 0.0 116.872 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.439 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.64 27.44 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.615 -1.928 . . . . 0.0 110.979 -176.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.76 ' NZ ' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.77 97.91 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 178.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.49 77.67 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 117.469 -1.692 . . . . 0.0 109.992 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.78 -42.34 89.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 122.202 1.001 . . . . 0.0 109.255 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.85 -47.91 76.44 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-O 122.008 0.909 . . . . 0.0 108.704 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.76 ' CE1' ' NZ ' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.87 -38.3 76.36 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.661 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.1 mt -75.61 -28.63 58.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.418 -1.426 . . . . 0.0 110.87 -174.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.41 -39.51 71.53 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.451 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.11 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.29 -45.22 84.32 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.499 177.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.491 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.33 -37.39 85.42 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.882 -1.136 . . . . 0.0 111.541 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.8 61.64 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.181 -0.95 . . . . 0.0 110.276 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.91 -32.33 45.63 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.482 -0.762 . . . . 0.0 111.281 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.96 125.42 11.97 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 124.256 1.979 . . . . 0.0 112.937 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.204 -2.725 . . . . 0.0 110.073 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.689 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.9 mt . . . . . 0 N--CA 1.456 -0.162 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -64.54 -48.09 76.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.893 0.378 . . . . 0.0 110.275 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -67.78 -35.66 79.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.295 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.51 -42.42 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 4' ' ' LEU . 78.8 t -60.65 -44.68 97.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.94 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.433 ' CE ' HD22 ' D' ' 347' ' ' LEU . 93.7 mtp -59.95 -41.4 91.78 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.53 97.43 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 11' ' ' LEU . 85.5 mt -63.41 -42.62 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.2 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.75 -44.23 99.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.733 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.552 HD11 ' HB1' ' D' ' 320' ' ' ALA . 84.5 mt -62.67 -44.04 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.008 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.29 -45.25 95.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.767 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.4 t -60.26 -44.65 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.996 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.97 -41.21 98.72 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.493 ' O ' ' OG ' ' A' ' 20' ' ' SER . 91.5 mm-40 -62.75 -42.63 99.77 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.9 -47.35 86.13 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.877 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.442 HH21 ' N ' ' A' ' 84' ' ' SER . 41.9 ttm180 -61.03 -46.17 91.83 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.0 p -56.61 -42.56 78.98 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.34 -41.69 98.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.695 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.43 -47.04 82.82 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -58.83 -41.92 88.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.575 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.87 87.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.779 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.8 91.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.723 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.514 HD11 ' CE1' ' A' ' 98' ' ' HIS . 56.0 tp -61.27 -44.72 96.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.464 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.691 ' NZ ' ' NE2' ' A' ' 31' ' ' GLN . 66.0 tttm -55.41 -43.19 75.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -62.7 -41.96 99.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.778 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.05 94.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.713 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.67 -27.92 69.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.125 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.691 ' NE2' ' NZ ' ' A' ' 27' ' ' LYS . 86.9 mt-30 -80.21 -3.94 51.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.473 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.3 13.58 70.68 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.39 79.46 2.78 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.766 0.317 . . . . 0.0 110.242 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -65.03 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.618 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.86 77.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.45 . . . . 0.0 110.748 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.22 80.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.392 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.31 78.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.639 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.33 -44.29 95.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.638 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.57 98.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.47 -42.22 92.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.512 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.642 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.5 mtm -64.04 -41.52 97.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.547 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.43 -47.27 86.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 0.0 110.559 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.04 -41.93 97.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.247 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.2 m -60.78 -46.71 89.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.531 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -60.96 -42.73 98.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.319 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.58 -42.65 99.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.224 0.535 . . . . 0.0 110.646 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.21 -41.84 96.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.204 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 18' ' ' ALA . 90.3 mt -65.65 -40.38 92.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.667 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.401 HD22 ' HA ' ' A' ' 49' ' ' ASN . 7.8 m120 -61.35 -41.79 97.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.283 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.52 -40.05 92.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.215 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.1 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.486 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.63 -38.59 91.7 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.423 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.64 -43.94 97.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.327 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.39 -43.92 94.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.053 0.454 . . . . 0.0 109.968 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.47 ' CG ' HE21 ' A' ' 78' ' ' GLN . 67.8 tp60 -61.28 -41.84 97.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.243 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.1 m -58.77 -42.84 89.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.04 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.42 -36.64 84.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.509 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.72 -25.39 65.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.652 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.567 HD11 ' NE2' ' A' ' 78' ' ' GLN . 96.8 mt -92.14 -32.43 5.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.531 -179.799 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.929 0.395 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 75' ' ' VAL . 82.8 p -132.26 165.08 24.98 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.9 mt -58.32 -42.25 86.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.65 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.649 HG13 HG21 ' A' ' 8' ' ' VAL . 50.9 t -63.56 -47.61 90.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.882 0.372 . . . . 0.0 110.603 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.436 HD22 ' CG1' ' A' ' 59' ' ' ILE . 93.1 mt -64.33 -41.14 96.94 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.019 0.437 . . . . 0.0 110.827 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 71' ' ' SER . 61.2 t -59.81 -47.64 90.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.145 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -58.68 -44.39 90.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.839 0.352 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.84 -42.01 95.26 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.665 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.567 ' NE2' HD11 ' A' ' 59' ' ' ILE . 89.5 mm-40 -62.94 -42.0 99.67 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.221 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.545 ' O ' HG23 ' A' ' 83' ' ' THR . 50.1 tp -58.32 -46.77 85.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.417 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -67.78 -48.77 65.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.679 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.47 -45.61 93.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.794 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -62.13 -44.01 97.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.147 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.1 p -63.76 -46.3 85.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.077 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.442 ' N ' HH21 ' A' ' 19' ' ' ARG . 46.7 t -62.61 -49.26 75.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.373 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.2 ttm -58.22 -47.46 83.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.483 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.8 -45.26 94.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.391 . . . . 0.0 110.091 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.56 84.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.837 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.1 -45.41 87.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.145 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.9 mt-10 -62.18 -42.67 99.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.123 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.22 -42.94 96.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.268 0.556 . . . . 0.0 109.911 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.429 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.0 mt -60.41 -41.57 87.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.328 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.5 m -57.15 -46.07 83.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.036 0.446 . . . . 0.0 109.931 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -62.54 -42.8 99.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.529 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.4 mt -58.81 -42.89 90.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.362 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.642 HD12 ' SD ' ' A' ' 41' ' ' MET . 91.0 mt -61.73 -42.45 94.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.551 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -61.64 -39.1 90.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.701 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.53 HD11 ' CD2' ' B' ' 94' ' ' LEU . 85.5 mt -61.99 -41.17 97.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.865 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.514 ' CE1' HD11 ' A' ' 26' ' ' LEU . 46.6 m170 -60.08 -38.72 83.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.35 -38.98 91.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.179 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.51 -38.22 90.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.186 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.421 179.514 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.676 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.0 mt . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 120.579 0.228 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -64.42 -48.35 75.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.353 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -67.3 -36.14 80.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.225 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.31 -42.28 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.011 0.434 . . . . 0.0 110.375 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.676 HG23 ' O ' ' B' ' 4' ' ' LEU . 78.5 t -60.77 -44.78 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.929 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.5 mtp -59.85 -41.27 91.09 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.79 -42.53 97.04 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.2 -42.47 99.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.801 0.334 . . . . 0.0 110.377 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.2 mt -63.11 -43.85 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.642 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.96 -44.11 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.941 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.21 -45.28 95.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.857 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.4 t -60.07 -45.03 94.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.04 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.43 98.96 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.488 ' O ' ' OG ' ' B' ' 20' ' ' SER . 91.6 mm-40 -62.44 -42.73 99.67 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.439 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -59.69 -47.62 84.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.943 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.457 HH21 ' N ' ' B' ' 84' ' ' SER . 41.9 ttm180 -60.89 -45.73 93.43 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.3 p -57.0 -42.62 80.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.7 mt -62.27 -41.49 98.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.71 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.431 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.82 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.462 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.0 m-85 -58.87 -41.87 88.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.618 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.34 88.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.699 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.73 -44.98 90.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.621 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.515 HD11 ' CE1' ' B' ' 98' ' ' HIS . 56.6 tp -61.17 -44.67 96.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.308 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.67 ' NZ ' ' NE2' ' B' ' 31' ' ' GLN . 66.1 tttm -55.75 -42.91 76.11 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.84 -41.76 99.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.863 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.39 94.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.725 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.2 -28.57 69.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.097 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.67 ' NE2' ' NZ ' ' B' ' 27' ' ' LYS . 86.9 mt-30 -79.72 -4.05 50.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.421 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.42 13.27 71.06 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.06 79.33 2.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.735 0.302 . . . . 0.0 110.321 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -65.16 -35.13 80.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.623 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.21 -49.3 76.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.051 0.453 . . . . 0.0 110.766 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.93 79.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.426 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.12 78.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.52 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.61 -44.4 96.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.492 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.69 98.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.658 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.6 -42.21 91.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.457 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.649 ' SD ' HD12 ' B' ' 95' ' ' ILE . 72.8 mtm -63.78 -41.62 97.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.545 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -61.49 -47.68 84.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.469 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.61 -41.74 98.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.297 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m -60.87 -46.98 88.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.471 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -60.82 -42.61 98.03 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.283 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.62 -42.76 99.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.264 0.554 . . . . 0.0 110.651 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.94 -42.35 97.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.136 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.439 HD21 ' CB ' ' B' ' 18' ' ' ALA . 89.7 mt -65.37 -40.44 93.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.72 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.24 -41.95 97.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.366 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.28 -40.26 93.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.222 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.43 -44.37 78.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.482 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -63.4 -38.65 91.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.277 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 53' ' ' LEU . 37.6 mt -61.67 -44.2 97.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.334 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.13 -43.74 95.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.016 0.436 . . . . 0.0 110.007 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.475 ' CG ' HE21 ' B' ' 78' ' ' GLN . 67.3 tp60 -61.56 -41.55 97.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.238 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 96.1 m -58.97 -43.08 91.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.963 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.08 -37.18 86.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.843 0.354 . . . . 0.0 110.496 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.2 -25.52 66.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.565 HD11 ' NE2' ' B' ' 78' ' ' GLN . 96.9 mt -92.17 -32.69 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.768 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 -179.78 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.884 0.373 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.549 ' O ' HG23 ' B' ' 75' ' ' VAL . 94.5 p -131.62 166.94 20.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.532 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.84 -41.85 96.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.483 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.636 HG13 HG21 ' B' ' 8' ' ' VAL . 49.4 t -62.74 -46.9 95.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.606 -177.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.443 HD22 ' CG1' ' B' ' 59' ' ' ILE . 97.1 mt -64.68 -40.86 96.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.99 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 71' ' ' SER . 58.1 t -59.77 -47.8 89.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.294 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -58.84 -44.53 90.96 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.306 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.403 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -64.53 -42.24 95.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.88 0.372 . . . . 0.0 110.427 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.565 ' NE2' HD11 ' B' ' 59' ' ' ILE . 88.8 mm-40 -62.75 -41.93 99.43 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.25 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 83' ' ' THR . 49.2 tp -58.53 -46.5 86.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.378 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -67.82 -48.99 64.67 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.729 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.14 -45.68 93.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.05 -44.18 97.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.541 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.8 p -63.52 -46.47 85.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.104 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.457 ' N ' HH21 ' B' ' 19' ' ' ARG . 46.8 t -62.32 -49.49 75.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.581 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 34.1 ttm -57.9 -47.41 82.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.471 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.11 -44.79 95.88 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.159 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.79 -47.4 85.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.843 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.16 -45.51 87.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.267 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.489 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.2 mt-10 -61.67 -43.18 99.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.172 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 70.3 mt -64.05 -42.86 96.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.16 0.505 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.431 HD12 ' HB1' ' B' ' 22' ' ' ALA . 79.1 mt -60.35 -41.53 87.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.183 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.8 m -57.18 -46.09 83.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.13 0.49 . . . . 0.0 109.871 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.65 -42.72 99.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.44 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.53 ' CD2' HD11 ' A' ' 97' ' ' LEU . 37.2 mt -58.84 -43.11 90.62 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.649 HD12 ' SD ' ' B' ' 41' ' ' MET . 90.6 mt -61.57 -42.77 95.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.511 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -60.86 -39.69 90.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' C' ' 94' ' ' LEU . 84.5 mt -61.92 -41.3 97.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.824 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.515 ' CE1' HD11 ' B' ' 26' ' ' LEU . 47.0 m170 -59.73 -39.06 83.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.74 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.85 -39.37 91.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.14 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.38 -38.15 90.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.204 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.342 179.541 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.682 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.8 mt . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -64.24 -48.47 75.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.828 0.346 . . . . 0.0 110.411 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.21 -36.28 81.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.301 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.1 -42.35 95.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.682 HG23 ' O ' ' C' ' 4' ' ' LEU . 78.0 t -60.76 -44.89 98.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.976 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.5 mtp -59.83 -40.99 90.34 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.35 96.79 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.29 -42.64 99.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.414 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.85 -43.89 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.761 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.86 -44.1 99.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.047 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.19 -45.78 93.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.778 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -59.7 -44.69 93.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.162 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.65 -41.99 98.88 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . 0.505 ' O ' ' OG ' ' C' ' 20' ' ' SER . 91.4 mm-40 -62.33 -42.58 99.49 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.441 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -59.61 -47.66 84.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.451 HH21 ' N ' ' C' ' 84' ' ' SER . 41.7 ttm180 -60.95 -45.55 94.27 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.3 p -57.37 -42.47 82.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.11 -41.59 98.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.721 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.425 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.89 -46.63 84.62 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.9 m-85 -59.3 -41.82 89.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.501 178.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.32 88.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.723 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.69 -44.86 90.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.609 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.516 HD11 ' CE1' ' C' ' 98' ' ' HIS . 56.7 tp -61.4 -44.8 96.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.419 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . 0.693 ' NZ ' ' NE2' ' C' ' 31' ' ' GLN . 65.9 tttm -55.33 -43.03 74.58 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -62.77 -41.73 99.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.926 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.91 95.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.778 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -61.81 -28.16 69.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.083 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.693 ' NE2' ' NZ ' ' C' ' 27' ' ' LYS . 86.9 mt-30 -79.88 -4.24 51.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.407 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.65 13.25 70.46 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.25 79.27 2.8 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -65.04 -35.4 81.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.578 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -49.27 76.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.076 0.465 . . . . 0.0 110.672 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.11 80.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.59 -48.36 77.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.49 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.11 -44.57 94.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.607 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.81 98.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.46 -42.53 92.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.051 0.453 . . . . 0.0 110.57 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.649 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.1 mtm -63.56 -41.64 98.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.59 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.51 -47.62 84.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.387 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -63.64 -41.69 98.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.346 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -61.05 -46.75 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.505 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.86 -42.68 98.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.357 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.49 -43.01 99.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.332 0.587 . . . . 0.0 110.564 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.45 97.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.328 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.441 HD21 ' CB ' ' C' ' 18' ' ' ALA . 90.3 mt -65.22 -40.51 94.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.725 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.46 -41.59 97.47 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.343 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.54 -40.14 92.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.031 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.45 78.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.454 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.47 -38.34 90.76 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.357 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.23 -43.77 98.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.251 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 62.6 t -65.34 -43.77 94.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.979 0.419 . . . . 0.0 109.961 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.476 ' CG ' HE21 ' C' ' 78' ' ' GLN . 67.7 tp60 -61.52 -41.96 98.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.265 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.966 HG21 HG22 ' D' ' 356' ' ' THR . 97.8 m -58.71 -42.76 89.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.1 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -63.19 -37.39 87.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.942 0.401 . . . . 0.0 110.5 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.85 -25.51 66.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.786 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.55 HD11 ' NE2' ' C' ' 78' ' ' GLN . 96.8 mt . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.812 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.561 ' O ' HG23 ' C' ' 75' ' ' VAL . 97.3 p . . . . . 0 C--O 1.227 -0.127 0 CA-C-O 121.044 0.45 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.62 -41.6 99.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.646 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.611 HG13 HG21 ' C' ' 8' ' ' VAL . 49.2 t -63.3 -47.53 91.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 130.109 3.364 . . . . 0.0 110.652 -178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.434 HD22 ' CG1' ' C' ' 59' ' ' ILE . 98.9 mt -66.65 -40.52 88.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 178.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.561 HG23 ' O ' ' C' ' 71' ' ' SER . 63.0 t -60.15 -48.25 88.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.266 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -58.79 -44.26 90.69 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.325 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.421 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -65.09 -41.68 94.78 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.875 0.369 . . . . 0.0 110.44 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . 0.55 ' NE2' HD11 ' C' ' 59' ' ' ILE . 88.6 mm-40 -63.26 -41.67 99.06 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.202 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.545 ' O ' HG23 ' C' ' 83' ' ' THR . 48.7 tp -58.75 -46.49 87.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.52 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -67.85 -48.79 65.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.668 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.51 -45.32 94.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.785 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.23 -44.16 97.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.348 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.545 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.2 p -63.82 -46.27 85.86 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.14 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . 0.451 ' N ' HH21 ' C' ' 19' ' ' ARG . 44.7 t -62.43 -49.12 76.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.631 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 34.1 ttm -58.3 -47.41 83.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.506 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.06 -45.09 95.09 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.136 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.36 85.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.954 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.25 -45.31 88.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.7 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.192 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.9 -42.98 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.162 0.506 . . . . 0.0 110.04 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.425 HD12 ' HB1' ' C' ' 22' ' ' ALA . 78.7 mt -60.31 -41.45 87.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.353 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 77.4 m -57.49 -45.68 84.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.03 0.443 . . . . 0.0 109.972 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.93 -42.42 99.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.484 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.533 ' CD2' HD11 ' B' ' 97' ' ' LEU . 36.8 mt -59.1 -42.91 91.63 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . 0.649 HD12 ' SD ' ' C' ' 41' ' ' MET . 90.2 mt -61.72 -42.55 94.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.545 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.14 -39.37 89.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.781 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 97' ' ' LEU . 86.3 mt -61.99 -41.35 97.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.91 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.516 ' CE1' HD11 ' C' ' 26' ' ' LEU . 47.3 m170 -59.76 -39.0 83.39 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.95 -39.26 91.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.089 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.37 -38.24 90.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.204 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.376 179.602 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 121.869 0.842 . . . . 0.0 109.005 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.8 143.0 36.65 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.36 38.7 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.0 -1.062 . . . . 0.0 109.507 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.15 28.46 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.93 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.993 -1.067 . . . . 0.0 108.389 178.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.31 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.64 136.64 36.89 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 122.134 0.968 . . . . 0.0 110.135 177.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -85.01 114.32 25.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.91 -4.22 19.38 Favored 'General case' 0 C--N 1.265 -3.083 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.805 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.6 141.82 85.57 Favored Pre-proline 0 N--CA 1.5 2.06 0 O-C-N 119.674 -1.892 . . . . 0.0 110.579 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.58 -47.55 13.22 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 124.739 3.626 . . . . 0.0 114.102 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.49 HD21 ' CE ' ' C' ' 85' ' ' MET . 99.6 m-20 -102.21 27.55 6.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 116.052 -2.259 . . . . 0.0 108.728 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.64 -143.82 48.73 Favored Glycine 0 N--CA 1.496 2.688 0 C-N-CA 117.738 -2.172 . . . . 0.0 109.588 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.2 tp -99.76 80.68 2.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.934 -1.333 . . . . 0.0 109.534 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -83.92 174.92 9.96 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 117.789 -1.564 . . . . 0.0 112.186 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 60.5 p -29.86 -68.82 0.07 Allowed 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.685 ' NH2' ' NE2' ' A' ' 17' ' ' GLN . 3.3 ttt-85 -48.64 -60.9 3.8 Favored Pre-proline 0 N--CA 1.493 1.69 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.578 -177.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.59 -32.25 58.7 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.369 2.046 . . . . 0.0 111.481 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.475 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.01 -38.86 86.75 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.241 -0.912 . . . . 0.0 109.457 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.436 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.81 -39.77 72.88 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -63.97 -39.31 93.85 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.937 -1.505 . . . . 0.0 109.529 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.78 -45.29 93.37 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 122.61 1.195 . . . . 0.0 108.702 -177.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.475 HG23 ' O ' ' D' ' 319' ' ' ALA . 52.9 t -62.62 -42.28 95.4 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.262 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.658 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.264 -0.898 . . . . 0.0 109.761 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.7 80.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.509 -0.744 . . . . 0.0 109.565 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.04 91.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.581 -1.324 . . . . 0.0 109.36 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.35 -16.14 43.11 Favored 'General case' 0 N--CA 1.512 2.628 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.91 -10.61 86.08 Favored Glycine 0 N--CA 1.479 1.55 0 O-C-N 119.937 -1.727 . . . . 0.0 109.32 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.404 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.33 32.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.329 -1.689 . . . . 0.0 109.996 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.53 -30.11 59.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.228 -0.92 . . . . 0.0 112.395 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.74 158.6 10.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 119.843 -1.786 . . . . 0.0 112.779 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.99 130.24 35.32 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 102.836 -3.024 . . . . 0.0 102.836 171.229 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.6 60.32 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.393 0 CA-C-O 122.252 1.025 . . . . 0.0 109.318 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.92 143.21 50.98 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 123.107 1.432 . . . . 0.0 109.942 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.13 129.94 61.52 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 173.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.5 m -127.43 119.58 26.46 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.928 -1.108 . . . . 0.0 108.923 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.55 122.64 39.36 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 119.946 -0.701 . . . . 0.0 109.864 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 38.92 24.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.964 -1.085 . . . . 0.0 112.816 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 10.94 83.56 Favored Glycine 0 N--CA 1.502 3.057 0 O-C-N 119.939 -1.725 . . . . 0.0 112.503 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.81 136.28 54.53 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.83 158.53 33.18 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-O 123.771 1.748 . . . . 0.0 112.432 -176.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.3 31.26 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 112.463 -2.153 . . . . 0.0 108.56 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.5 135.99 49.03 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 173.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.04 -6.75 47.59 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.707 -1.246 . . . . 0.0 110.734 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.49 12.95 31.59 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.634 -1.291 . . . . 0.0 109.354 -177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.4 t -133.04 104.08 6.35 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 122.094 0.95 . . . . 0.0 110.132 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.18 -37.99 72.95 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.989 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -58.76 -51.37 70.26 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.552 -1.343 . . . . 0.0 113.156 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.38 70.4 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 119.592 -1.943 . . . . 0.0 109.211 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.79 -33.82 76.0 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.895 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.54 -10.54 52.71 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.583 -0.698 . . . . 0.0 109.966 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.1 p -89.76 -7.72 53.82 Favored 'General case' 0 N--CA 1.502 2.171 0 C-N-CA 118.098 -1.441 . . . . 0.0 110.947 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 94.2 mt -93.39 159.25 15.34 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.197 -0.939 . . . . 0.0 110.113 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 106.906 -2.477 . . . . 0.0 106.906 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.54 47.45 1.71 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.621 -1.517 . . . . 0.0 107.415 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.782 HG22 HG21 ' C' ' 56' ' ' THR . 80.6 p -81.46 172.53 13.4 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 118.811 -1.155 . . . . 0.0 109.175 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.69 140.93 57.31 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.812 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.18 79.0 Favored Glycine 0 N--CA 1.5 2.955 0 C-N-CA 120.0 -1.095 . . . . 0.0 111.379 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.48 135.85 34.07 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.875 -1.368 . . . . 0.0 110.591 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.46 123.68 48.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.492 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.12 160.06 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 C-N-CA 117.438 -1.705 . . . . 0.0 110.637 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.0 m -108.85 128.38 54.85 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.493 -1.38 . . . . 0.0 107.624 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.79 121.36 60.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.64 147.28 50.72 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -179.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.17 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 118.576 -1.25 . . . . 0.0 109.769 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.78 6.41 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 118.574 -1.251 . . . . 0.0 108.065 178.185 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.34 40.15 Favored Glycine 0 C--N 1.296 -1.687 0 C-N-CA 118.031 -2.033 . . . . 0.0 110.374 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.59 82.49 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.357 -0.922 . . . . 0.0 112.26 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.02 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 115.899 -2.32 . . . . 0.0 108.57 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.55 65.81 Favored 'General case' 0 N--CA 1.522 3.173 0 N-CA-C 116.855 2.168 . . . . 0.0 116.855 -174.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.45 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.89 -45.59 27.56 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 119.578 -1.951 . . . . 0.0 111.003 -176.549 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.853 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.58 -40.7 97.62 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.43 77.87 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 117.441 -1.704 . . . . 0.0 110.035 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.87 -42.29 88.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 CA-C-O 122.162 0.982 . . . . 0.0 109.203 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -55.76 -48.0 76.02 Favored 'General case' 0 C--N 1.285 -2.204 0 CA-C-O 122.091 0.948 . . . . 0.0 108.74 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.853 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.78 -38.32 76.67 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.733 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.6 -28.6 58.94 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.421 -1.425 . . . . 0.0 110.897 -174.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.57 71.03 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.17 63.55 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.17 84.5 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 118.998 -1.081 . . . . 0.0 110.53 177.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.492 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.42 85.66 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.864 -1.147 . . . . 0.0 111.506 -177.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.83 -31.81 61.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.144 -0.973 . . . . 0.0 110.282 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.92 -32.26 45.59 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.472 -0.767 . . . . 0.0 111.315 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.14 125.52 12.5 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 124.392 2.044 . . . . 0.0 112.803 178.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.805 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.5 tt0 . . . . . 0 C--N 1.277 -2.548 0 CA-C-N 111.131 -2.758 . . . . 0.0 110.114 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.1 mt . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -64.24 -47.66 78.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.212 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.94 -35.38 78.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.267 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.43 -42.98 98.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.392 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.647 HG21 HG13 ' A' ' 73' ' ' VAL . 79.5 t -60.94 -44.1 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.1 mtp -59.29 -41.44 88.98 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.39 -42.02 96.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.9 -42.9 99.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.236 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.07 -43.85 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.783 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.436 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.4 mt -64.03 -44.23 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.008 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -60.86 -47.1 87.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.816 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.2 m -59.5 -43.63 93.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.989 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.408 ' HA3' ' HE ' ' D' ' 317' ' ' ARG . . . -63.61 -42.1 98.9 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.685 ' NE2' ' NH2' ' D' ' 317' ' ' ARG . 91.7 mm-40 -62.95 -44.88 94.83 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.33 77.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.865 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.35 -45.58 92.98 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.592 ' OG ' ' NH1' ' D' ' 317' ' ' ARG . 67.0 m -55.71 -44.38 77.37 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.54 -41.48 97.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.675 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.474 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -58.41 -48.28 81.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -58.82 -42.13 88.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.638 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HB3' ' CE ' ' A' ' 40' ' ' MET . . . -59.61 -39.94 85.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.775 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.39 86.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.702 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.23 -44.9 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.445 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.24 -43.87 74.98 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.2 mt-30 -61.81 -41.56 97.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.771 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.59 91.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.782 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.72 -28.35 69.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.118 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -80.82 -5.09 56.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.478 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.67 14.86 69.44 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -98.04 78.49 2.53 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.745 0.307 . . . . 0.0 110.265 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -65.42 -35.3 80.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.632 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.76 -50.62 70.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.043 0.449 . . . . 0.0 110.737 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.44 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -65.11 -35.7 81.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.35 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -47.1 84.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 41' ' ' MET . 88.8 tttt -59.58 -42.42 92.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.661 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.63 -37.38 87.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.405 ' CE ' ' HB3' ' A' ' 24' ' ' ALA . 87.5 mmm -64.77 -47.09 79.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.474 -178.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.455 ' O ' ' OG ' ' A' ' 44' ' ' SER . 20.0 ptm -65.02 -37.49 87.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.655 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -61.72 -48.45 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.514 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.38 -39.89 95.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.209 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -62.19 -44.52 96.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.53 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.765 HH21 HH12 ' A' ' 88' ' ' ARG . 41.4 ttm180 -60.3 -42.34 95.3 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.45 -42.04 98.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.266 0.555 . . . . 0.0 110.598 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.59 99.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.213 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.23 -40.25 93.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.644 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.26 -41.34 96.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.223 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.54 -39.68 92.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.223 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.32 -43.25 82.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.13 -37.98 89.38 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.37 -43.84 98.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.331 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.54 -43.47 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.101 0.477 . . . . 0.0 110.077 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.427 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 66.5 tp60 -59.83 -42.41 93.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.9 m -58.24 -42.13 85.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.988 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -40.22 97.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.962 0.41 . . . . 0.0 110.49 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.467 HD22 HD22 ' A' ' 4' ' ' LEU . 98.6 mt -62.41 -28.5 69.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.721 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.47 HD11 HE21 ' A' ' 78' ' ' GLN . 83.8 mt -84.7 -30.4 6.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.803 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.538 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.944 0.402 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.586 ' O ' HG23 ' A' ' 75' ' ' VAL . 83.2 p -129.33 162.21 28.49 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 178.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.5 mt -57.39 -45.31 84.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.528 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.647 HG13 HG21 ' A' ' 8' ' ' VAL . 54.2 t -64.08 -47.38 90.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.872 0.367 . . . . 0.0 110.53 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.402 HD22 HG12 ' A' ' 59' ' ' ILE . 90.0 mt -63.36 -41.51 98.83 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 71' ' ' SER . 56.4 t -59.71 -47.09 92.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.188 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.54 -45.4 91.9 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.331 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.427 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.16 -44.01 93.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.695 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.514 ' O ' ' SD ' ' A' ' 82' ' ' MET . 86.3 mt-30 -63.15 -40.03 96.39 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.17 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 83' ' ' THR . 44.5 tp -58.36 -46.79 85.61 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.369 -178.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -68.11 -47.32 68.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.3 -46.07 91.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.77 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.657 ' N ' ' SD ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -61.7 -43.73 98.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.24 -179.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.0 p -63.44 -48.14 78.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.133 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.6 m -61.44 -49.19 77.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.415 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 55.8 ttm -58.47 -47.08 85.22 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.512 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.02 -45.51 93.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.13 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.01 87.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.889 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.765 HH12 HH21 ' A' ' 45' ' ' ARG . 3.5 tmt_? -58.52 -45.36 88.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.143 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.8 mt-10 -62.23 -43.45 98.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.035 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.7 mt -64.02 -43.52 95.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.152 0.501 . . . . 0.0 109.879 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.474 HD12 ' HB1' ' A' ' 22' ' ' ALA . 81.8 mt -60.42 -42.34 90.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.1 m -57.21 -45.83 83.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.003 0.43 . . . . 0.0 109.869 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.33 -43.18 98.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.433 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 81.7 mt -59.15 -43.07 92.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.38 -42.54 94.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.534 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.499 ' CD ' ' NZ ' ' B' ' 30' ' ' LYS . 84.1 tt0 -61.72 -39.45 91.56 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 97' ' ' LEU . 37.7 mt -62.44 -40.8 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.927 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 62.3 m80 -60.27 -39.77 88.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.793 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.46 -39.3 87.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.157 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.76 -36.44 83.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.249 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.42 179.755 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.57 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.9 mt . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.543 0.211 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -63.91 -48.31 77.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.86 0.362 . . . . 0.0 110.369 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.29 -35.71 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.195 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.33 -43.28 98.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.346 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.628 HG21 HG13 ' B' ' 73' ' ' VAL . 79.5 t -60.62 -44.09 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.87 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -59.39 -41.31 89.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.5 -42.04 95.96 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.99 -42.66 99.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.823 0.344 . . . . 0.0 110.394 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.17 -44.06 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.757 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.8 -44.2 98.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.943 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -61.05 -46.92 88.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.849 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 62.3 m -59.54 -43.62 93.46 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.12 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.77 -42.08 98.68 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -62.9 -44.59 95.68 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.1 78.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.908 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.55 -45.59 93.32 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -55.8 -44.25 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.46 -41.88 97.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.747 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.47 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -58.01 -48.46 79.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.447 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 19.9 m-85 -58.84 -41.84 87.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.708 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.401 ' HB3' ' CE ' ' B' ' 40' ' ' MET . . . -59.94 -39.82 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.765 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.73 87.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.629 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.96 -44.57 96.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.374 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.53 -44.05 76.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.449 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.0 mt-30 -61.55 -41.21 97.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.889 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.32 93.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.679 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.499 ' NZ ' ' CD ' ' A' ' 96' ' ' GLU . 67.4 mttm -61.9 -28.36 69.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.037 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -80.92 -5.3 57.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.06 14.59 69.0 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.76 78.49 2.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 110.349 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -65.51 -35.09 79.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.596 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.81 -50.28 71.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.793 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.449 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.42 -35.69 81.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.405 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.21 84.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.506 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' B' ' 41' ' ' MET . 88.8 tttt -59.53 -42.85 93.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.585 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.72 88.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.401 ' CE ' ' HB3' ' B' ' 24' ' ' ALA . 87.3 mmm -64.51 -46.84 81.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.45 ' CG ' ' O ' ' B' ' 38' ' ' LYS . 20.0 ptm -65.12 -37.64 88.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.583 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.78 -48.54 80.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.513 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.03 -40.14 96.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.295 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 41' ' ' MET . 77.7 p -61.99 -44.71 96.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.505 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.775 HH21 HH12 ' B' ' 88' ' ' ARG . 41.3 ttm180 -60.09 -42.49 94.77 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 59.2 mtt -61.26 -42.24 98.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.283 0.563 . . . . 0.0 110.627 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.63 99.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.145 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.15 -40.2 94.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.728 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.32 -41.38 96.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.396 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -65.33 -39.77 92.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.148 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.42 -43.31 81.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.399 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.98 -38.11 89.81 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.309 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 53' ' ' LEU . 40.5 mt -61.34 -43.82 98.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.349 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.54 -43.53 94.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.116 0.484 . . . . 0.0 110.095 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.416 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 66.5 tp60 -59.71 -42.39 92.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.278 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 87.8 m -58.29 -42.13 85.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.989 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.16 -40.06 96.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.447 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.47 HD22 HD22 ' B' ' 4' ' ' LEU . 98.2 mt -62.56 -28.55 69.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.446 HD11 HE21 ' B' ' 78' ' ' GLN . 81.6 mt -84.64 -30.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.763 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.834 0.35 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.62 ' O ' HG23 ' B' ' 75' ' ' VAL . 87.9 p -129.25 164.13 24.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.54 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.59 -45.33 92.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.607 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.628 HG13 HG21 ' B' ' 8' ' ' VAL . 54.7 t -62.99 -46.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.811 0.339 . . . . 0.0 110.674 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.415 HD22 HG12 ' B' ' 59' ' ' ILE . 91.5 mt -63.63 -41.13 98.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.117 0.485 . . . . 0.0 111.043 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 71' ' ' SER . 53.7 t -59.8 -47.17 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.294 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.496 ' OE2' ' OE1' ' A' ' 78' ' ' GLN . 38.8 tp10 -59.68 -45.49 91.92 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.266 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.416 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -63.93 -44.37 93.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.936 0.398 . . . . 0.0 110.371 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.506 ' O ' ' SD ' ' B' ' 82' ' ' MET . 85.9 mt-30 -62.88 -40.1 96.49 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 83' ' ' THR . 45.1 tp -58.26 -47.07 84.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.365 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -67.74 -47.69 68.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.784 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.13 -45.81 93.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.881 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . 0.649 ' N ' ' SD ' ' B' ' 82' ' ' MET . 0.0 OUTLIER -61.8 -43.79 98.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.234 -179.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.514 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.4 p -63.56 -47.82 79.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.2 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.1 m -61.12 -49.41 77.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 55.8 ttm -58.37 -47.44 83.81 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.473 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.84 -45.65 92.88 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.084 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.43 -47.4 85.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.891 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.775 HH12 HH21 ' B' ' 45' ' ' ARG . 3.5 tmt_? -58.0 -45.5 86.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.245 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.452 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.6 mt-10 -62.0 -43.55 98.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.132 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.98 -43.4 95.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.039 0.447 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.47 HD12 ' HB1' ' B' ' 22' ' ' ALA . 82.0 mt -60.6 -41.79 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.186 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -57.82 -45.63 85.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.036 0.446 . . . . 0.0 109.888 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.4 -43.32 97.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.466 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.462 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 82.2 mt -59.09 -43.13 91.8 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.27 -42.86 95.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.505 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . 0.51 ' CD ' ' NZ ' ' C' ' 30' ' ' LYS . 84.6 tt0 -61.38 -39.6 91.24 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.1 mt -62.35 -40.98 98.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.853 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 61.7 m80 -60.09 -39.64 86.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.826 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.47 -39.42 87.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.128 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.74 -36.19 83.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.209 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.342 179.806 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.591 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.1 mt . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.08 -48.49 75.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.852 0.358 . . . . 0.0 110.374 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.17 -35.83 80.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.245 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.16 -43.01 98.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.361 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.591 HG23 ' O ' ' C' ' 4' ' ' LEU . 79.3 t -60.91 -44.28 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.947 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.6 mtp -59.12 -41.46 88.24 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.48 -42.04 95.99 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' C' ' 11' ' ' LEU . 83.1 mt -62.71 -42.87 99.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.381 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.95 -44.1 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.689 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.68 -44.37 98.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.001 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -60.92 -47.01 88.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.877 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 64.3 m -59.48 -43.76 93.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.09 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.77 -41.66 98.82 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -63.37 -44.58 94.36 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.33 77.4 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.35 -45.57 93.02 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -55.78 -44.32 77.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.64 -41.36 97.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.733 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.478 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -58.52 -48.15 81.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.452 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 19.6 m-85 -59.0 -42.25 89.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.507 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . 0.41 ' HB3' ' CE ' ' C' ' 40' ' ' MET . . . -59.66 -39.88 85.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.665 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.97 86.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.567 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.81 -44.6 96.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.44 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.51 -43.5 75.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.1 mt-30 -62.3 -41.25 98.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.838 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.21 92.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.806 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . 0.51 ' NZ ' ' CD ' ' B' ' 96' ' ' GLU . 67.4 mttm -62.11 -28.34 69.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.136 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -80.72 -5.29 56.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.448 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.14 14.27 69.53 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.67 78.54 2.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.689 0.28 . . . . 0.0 110.262 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -65.47 -35.37 80.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.544 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -50.08 72.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.025 0.44 . . . . 0.0 110.654 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . 0.444 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.44 -35.92 82.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.429 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.09 84.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' C' ' 41' ' ' MET . 88.8 tttt -59.42 -43.16 93.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.61 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.42 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.743 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . 0.41 ' CE ' ' HB3' ' C' ' 24' ' ' ALA . 86.4 mmm -64.56 -46.96 80.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -178.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.46 ' O ' ' OG ' ' C' ' 44' ' ' SER . 20.2 ptm -64.95 -38.05 89.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.58 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -61.6 -48.22 81.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.439 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -63.2 -40.29 97.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.331 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' C' ' 41' ' ' MET . 77.4 p -62.02 -44.22 97.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.593 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.78 HH21 HH12 ' C' ' 88' ' ' ARG . 41.3 ttm180 -60.45 -42.41 96.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.419 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 59.5 mtt -61.53 -42.03 98.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.333 0.587 . . . . 0.0 110.52 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.97 99.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.31 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.93 -40.42 95.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.723 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.25 -41.18 96.46 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.307 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.62 -39.44 91.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.066 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.81 -42.96 80.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.429 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.15 -37.93 89.18 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.356 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.76 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.343 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.88 -43.48 93.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.024 0.44 . . . . 0.0 109.959 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.422 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 66.4 tp60 -59.78 -42.5 93.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.222 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.782 HG21 HG22 ' D' ' 356' ' ' THR . 95.0 m -58.18 -41.99 85.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.13 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.29 -40.1 96.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.49 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.473 HD22 HD22 ' C' ' 4' ' ' LEU . 97.9 mt -62.12 -28.91 69.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.468 HD11 HE21 ' C' ' 78' ' ' GLN . 83.9 mt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.836 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.629 ' O ' HG23 ' C' ' 75' ' ' VAL . 88.0 p . . . . . 0 C--O 1.226 -0.156 0 CA-C-O 121.054 0.454 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' C' ' 72' ' ' LEU . 23.0 mt -61.36 -44.49 97.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.615 -177.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.591 HG13 HG21 ' C' ' 8' ' ' VAL . 56.0 t -64.39 -47.27 90.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 130.08 3.352 . . . . 0.0 110.599 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.411 HD22 HG12 ' C' ' 59' ' ' ILE . 91.5 mt -65.55 -40.93 93.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.629 HG23 ' O ' ' C' ' 71' ' ' SER . 57.5 t -60.16 -47.56 91.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.215 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.496 ' OE2' ' OE1' ' B' ' 78' ' ' GLN . 39.3 tp10 -59.67 -45.32 92.43 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.323 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.422 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -64.13 -44.69 91.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.889 0.376 . . . . 0.0 110.419 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . 0.503 ' O ' ' SD ' ' C' ' 82' ' ' MET . 86.1 mt-30 -62.53 -40.42 96.72 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.23 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.505 ' O ' HG23 ' C' ' 83' ' ' THR . 44.3 tp -57.94 -47.4 83.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.445 -179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -67.39 -47.71 69.53 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.762 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.09 -46.02 92.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.805 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . 0.656 ' N ' ' SD ' ' C' ' 82' ' ' MET . 0.0 OUTLIER -61.58 -43.86 98.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.505 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.9 p -63.5 -47.88 79.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.156 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 66.4 m -61.46 -49.36 77.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.552 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . 0.49 ' CE ' HD21 ' D' ' 312' ' ' ASN . 56.2 ttm -58.1 -47.31 83.62 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.547 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.04 -45.67 92.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.146 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.07 -47.6 84.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.88 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.78 HH12 HH21 ' C' ' 45' ' ' ARG . 3.5 tmt_? -58.14 -45.25 87.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.23 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.93 -43.76 98.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.176 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.93 -43.32 96.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.168 0.509 . . . . 0.0 109.952 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.478 HD12 ' HB1' ' C' ' 22' ' ' ALA . 82.6 mt -60.65 -41.96 90.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.439 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.51 -45.63 84.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.008 0.432 . . . . 0.0 109.937 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.69 -43.02 97.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.514 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.48 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 82.5 mt -59.22 -42.97 92.26 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.5 -42.68 94.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.5 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.49 -39.38 90.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.37 -41.28 98.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.81 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.48 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 62.2 m80 -59.9 -39.66 86.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.776 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.62 -39.41 88.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.045 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.58 -36.51 84.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.217 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.372 179.808 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.525 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.716 0 CA-C-O 121.869 0.842 . . . . 0.0 108.956 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.78 143.02 36.7 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.34 38.63 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.968 -1.082 . . . . 0.0 109.504 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.15 28.47 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.33 18.93 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.06 -1.025 . . . . 0.0 108.394 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.37 19.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.76 136.64 37.02 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 122.109 0.957 . . . . 0.0 110.146 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.95 114.3 24.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.2 p -106.79 -4.35 19.42 Favored 'General case' 0 C--N 1.266 -3.054 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.47 141.83 85.92 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.779 -1.825 . . . . 0.0 110.605 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -45.51 -47.66 12.93 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 124.746 3.631 . . . . 0.0 114.139 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -102.17 27.51 6.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 116.07 -2.252 . . . . 0.0 108.771 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.06 -142.07 48.37 Favored Glycine 0 N--CA 1.497 2.74 0 C-N-CA 117.674 -2.203 . . . . 0.0 109.562 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.2 tp -88.44 65.7 8.01 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.931 -1.335 . . . . 0.0 109.522 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.696 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.7 OUTLIER -54.77 177.66 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 117.863 -1.535 . . . . 0.0 112.163 -178.255 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.0 OUTLIER -45.23 -66.35 0.41 Allowed 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 117.271 2.323 . . . . 0.0 117.271 -176.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.557 ' N ' ' OG1' ' D' ' 316' ' ' THR . 7.3 tmm_? -56.11 -50.4 87.61 Favored Pre-proline 0 N--CA 1.493 1.678 0 C-N-CA 120.205 -0.598 . . . . 0.0 112.476 -177.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.8 Cg_endo -63.81 -32.26 67.31 Favored 'Trans proline' 0 C--N 1.317 -1.121 0 C-N-CA 120.955 1.104 . . . . 0.0 111.477 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.516 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.85 86.8 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.259 -0.901 . . . . 0.0 109.495 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.435 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.93 -39.7 72.51 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.93 -39.45 94.2 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 117.941 -1.504 . . . . 0.0 109.469 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.63 -45.34 93.29 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 122.533 1.158 . . . . 0.0 108.654 -177.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.516 HG23 ' O ' ' D' ' 319' ' ' ALA . 68.8 t -62.67 -42.21 95.22 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.275 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.71 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.94 -40.22 95.95 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.247 -0.908 . . . . 0.0 109.74 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.66 80.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.835 . . . . 0.0 109.602 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.03 91.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.608 -1.307 . . . . 0.0 109.422 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.27 -16.25 43.55 Favored 'General case' 0 N--CA 1.512 2.637 0 O-C-N 121.311 -0.868 . . . . 0.0 113.3 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.57 86.13 Favored Glycine 0 N--CA 1.478 1.482 0 O-C-N 119.908 -1.745 . . . . 0.0 109.287 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.47 143.37 32.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.273 -1.722 . . . . 0.0 110.002 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.6 -30.1 59.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.23 -0.919 . . . . 0.0 112.315 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.48 10.24 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 119.791 -1.818 . . . . 0.0 112.829 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.83 130.24 35.48 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 171.223 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.73 136.65 60.19 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-O 122.25 1.024 . . . . 0.0 109.275 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.98 143.24 51.0 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 123.058 1.409 . . . . 0.0 109.965 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.18 129.97 61.54 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.719 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 173.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.5 m -127.49 119.66 26.58 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.875 -1.141 . . . . 0.0 108.885 -178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.58 122.58 39.2 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.594 -0.692 . . . . 0.0 109.872 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.69 38.97 24.24 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.896 -1.127 . . . . 0.0 112.773 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.99 83.54 Favored Glycine 0 N--CA 1.5 2.96 0 O-C-N 119.881 -1.762 . . . . 0.0 112.528 177.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.84 136.19 54.58 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 177.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.76 158.52 33.1 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-O 123.774 1.749 . . . . 0.0 112.411 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.38 Favored 'General case' 0 C--N 1.278 -2.54 0 CA-C-N 112.511 -2.131 . . . . 0.0 108.626 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.58 135.95 48.88 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 173.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.94 -6.84 47.96 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.726 -1.234 . . . . 0.0 110.733 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.51 13.05 31.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.715 -1.24 . . . . 0.0 109.361 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.1 m -133.12 104.06 6.33 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.206 1.003 . . . . 0.0 110.13 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.16 -37.95 72.84 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.977 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -58.92 -51.26 70.81 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.609 -1.307 . . . . 0.0 113.072 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.14 -32.41 70.39 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 119.579 -1.951 . . . . 0.0 109.184 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.78 -33.74 75.8 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.905 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.75 -10.38 52.07 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.644 -0.66 . . . . 0.0 109.934 -177.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.2 p -89.8 -7.69 53.8 Favored 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 118.112 -1.435 . . . . 0.0 110.954 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.37 159.34 15.3 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.244 -0.91 . . . . 0.0 110.119 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.76 104.94 2.98 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 106.887 -2.485 . . . . 0.0 106.887 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.5 mt -119.65 47.35 1.73 Allowed 'General case' 0 C--N 1.309 -1.175 0 O-C-N 120.721 -1.458 . . . . 0.0 107.394 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 62.1 p -81.35 172.55 13.44 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.269 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -60.7 140.88 57.35 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.329 -0.948 . . . . 0.0 109.864 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.08 79.01 Favored Glycine 0 N--CA 1.5 2.959 0 O-C-N 121.009 -1.057 . . . . 0.0 111.303 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.43 135.94 34.06 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 120.927 -1.337 . . . . 0.0 110.557 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.56 123.62 48.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 176.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.486 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.13 160.08 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.347 0 C-N-CA 117.346 -1.742 . . . . 0.0 110.66 178.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.5 m -108.85 128.29 54.78 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.517 -1.365 . . . . 0.0 107.678 175.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.77 121.35 60.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 176.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.29 50.71 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -179.55 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.79 153.37 47.11 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.736 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.525 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.77 6.42 Favored 'General case' 0 C--N 1.288 -2.08 0 C-N-CA 118.556 -1.258 . . . . 0.0 108.052 178.204 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.29 40.14 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 117.981 -2.056 . . . . 0.0 110.351 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.48 -40.56 83.07 Favored 'General case' 0 C--N 1.276 -2.629 0 CA-C-N 114.441 -0.879 . . . . 0.0 112.167 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.09 36.88 3.51 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 115.845 -2.342 . . . . 0.0 108.55 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.42 -33.52 65.9 Favored 'General case' 0 N--CA 1.521 3.105 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.447 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.65 27.51 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.624 -1.922 . . . . 0.0 110.965 -176.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.775 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.46 -40.78 98.05 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.55 77.43 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 117.456 -1.698 . . . . 0.0 110.038 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.76 -42.24 89.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 CA-C-O 122.29 1.043 . . . . 0.0 109.319 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.91 -47.93 76.57 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-O 122.068 0.937 . . . . 0.0 108.762 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.775 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.69 -38.43 76.99 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.695 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.439 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.5 mt -75.6 -28.55 58.95 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.361 -1.462 . . . . 0.0 110.912 -174.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.48 70.74 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.3 62.75 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.24 -45.23 84.12 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 118.975 -1.09 . . . . 0.0 110.558 177.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.486 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.36 -37.3 85.16 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.925 -1.109 . . . . 0.0 111.602 -177.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.79 61.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.188 -0.945 . . . . 0.0 110.264 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.87 -32.36 45.89 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.501 -0.749 . . . . 0.0 111.27 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.5 12.37 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 124.337 2.017 . . . . 0.0 112.83 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.555 0 CA-C-N 111.127 -2.76 . . . . 0.0 110.127 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.9 mt . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 110.429 -0.211 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.62 -47.38 78.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.9 0.381 . . . . 0.0 110.278 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -66.66 -37.55 85.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.264 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.496 HG11 HD11 ' A' ' 58' ' ' LEU . 74.2 t -63.05 -42.48 96.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.386 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 4' ' ' LEU . 77.8 t -60.13 -45.22 96.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.927 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mtp -58.72 -40.94 85.17 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.83 -42.25 97.12 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.96 -42.84 99.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.251 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' CG2' ' OG1' ' D' ' 316' ' ' THR . 93.6 mt -62.73 -44.49 99.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.759 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.435 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.9 mt -63.0 -43.69 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.02 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.403 HD22 ' HA ' ' A' ' 14' ' ' ASN . 7.1 m120 -61.34 -46.34 90.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.713 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.4 m -59.93 -44.29 94.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.001 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.7 99.84 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.41 -41.95 98.73 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.476 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.08 -49.1 78.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.877 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -60.42 -45.76 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.41 ' HG ' HH21 ' D' ' 317' ' ' ARG . 67.1 m -54.5 -43.77 72.11 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.53 -41.71 99.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.716 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -58.88 -49.44 77.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -60.02 -42.21 93.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.587 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.46 96.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.744 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.76 89.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.605 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.6 -46.0 91.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.46 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -55.64 -42.88 75.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.17 0.509 . . . . 0.0 109.631 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.672 ' NE2' ' HB1' ' A' ' 36' ' ' ALA . 98.0 mt-30 -60.43 -41.25 93.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.813 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.43 93.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.711 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.61 -29.54 70.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.135 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -83.11 -5.42 59.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.445 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 18.56 64.14 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -100.88 78.65 1.96 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.777 0.323 . . . . 0.0 110.285 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -65.43 -33.44 75.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.645 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -48.44 79.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.148 0.499 . . . . 0.0 110.773 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.672 ' HB1' ' NE2' ' A' ' 28' ' ' GLN . . . -65.5 -34.95 79.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.382 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.73 87.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.614 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.48 -41.89 97.94 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.626 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.2 94.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.586 ' CE ' ' NE2' ' A' ' 28' ' ' GLN . 45.9 mtt -65.55 -40.65 93.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.463 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.501 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 19.1 mmt -62.51 -42.9 99.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.632 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -62.39 -45.59 92.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.996 0.426 . . . . 0.0 110.551 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.2 -41.99 96.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.21 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.43 -46.35 90.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.559 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -60.47 -43.16 97.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.61 -42.57 99.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.141 0.496 . . . . 0.0 110.621 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.05 98.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.162 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 18' ' ' ALA . 97.6 mt -65.59 -39.94 92.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.74 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -61.29 -41.41 96.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.274 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.28 -39.6 92.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.198 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.532 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -67.46 -45.1 76.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.422 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.7 -38.73 88.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.381 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.19 -43.74 98.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.92 -43.77 97.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.04 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.743 HE22 HD23 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -60.15 -41.64 93.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.301 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.4 m -56.89 -44.1 81.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.996 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.74 -40.19 96.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.534 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.496 HD11 HG11 ' A' ' 7' ' ' VAL . 98.3 mt -62.94 -31.01 72.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.669 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -86.5 -31.34 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.829 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.528 179.844 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.461 0.093 0 CA-C-O 120.995 0.426 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 75' ' ' VAL . 85.4 p -131.28 163.25 28.22 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.4 mt -56.89 -44.11 81.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.592 HG13 HG21 ' A' ' 8' ' ' VAL . 54.7 t -63.49 -47.93 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.887 0.375 . . . . 0.0 110.551 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.743 HD23 HE22 ' A' ' 55' ' ' GLN . 83.5 mt -63.79 -42.5 97.73 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 71' ' ' SER . 53.2 t -59.86 -47.74 90.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.178 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.93 -45.32 90.69 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.271 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.65 96.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.606 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -64.54 -40.17 95.1 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.181 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 83' ' ' THR . 40.5 tp -57.51 -47.62 81.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.361 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.42 ' NE2' HG21 ' D' ' 316' ' ' THR . 56.2 m80 -67.45 -48.2 67.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.725 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.532 HD21 ' HB1' ' A' ' 51' ' ' ALA . 14.4 mt -61.57 -45.26 94.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.872 -178.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.8 -45.05 95.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.7 p -62.15 -47.21 85.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.076 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -62.23 -47.84 82.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.441 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -58.68 -48.28 81.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.61 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.89 -45.23 95.43 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.127 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.54 88.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.801 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -61.6 -45.35 94.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.073 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.468 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 95.5 mt-10 -61.2 -49.67 76.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.107 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.37 -41.71 96.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.219 0.533 . . . . 0.0 109.883 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.493 HD13 ' HB1' ' A' ' 22' ' ' ALA . 31.5 mt -59.77 -42.11 87.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.501 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 98.3 m -58.32 -45.96 87.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.988 0.423 . . . . 0.0 109.872 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.7 -42.51 99.68 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 13.9 mt -59.6 -43.19 93.79 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.21 -42.33 93.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.582 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.89 -39.43 85.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.804 HD21 ' NE2' ' B' ' 98' ' ' HIS . 36.7 mt -62.07 -41.71 98.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.887 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.567 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 75.5 m80 -60.04 -40.2 88.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.04 -38.51 91.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.217 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -62.69 -39.88 95.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.24 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.43 179.67 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.65 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.9 mt . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.601 0.238 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.39 -47.33 79.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.942 0.401 . . . . 0.0 110.396 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -66.7 -37.81 85.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.125 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.483 HG11 HD11 ' B' ' 58' ' ' LEU . 74.9 t -62.74 -42.56 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.371 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.65 HG23 ' O ' ' B' ' 4' ' ' LEU . 75.8 t -60.14 -45.17 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.896 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.09 -40.59 85.74 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.0 -42.17 96.92 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 11' ' ' LEU . 83.6 mt -63.01 -42.78 99.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.794 0.331 . . . . 0.0 110.382 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.06 -44.41 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.691 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.98 -43.82 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.94 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -61.09 -46.34 91.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.872 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 68.1 m -59.94 -44.28 94.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.059 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.99 -41.89 99.8 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.16 -42.14 99.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.483 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.89 -48.88 78.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.878 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.76 -45.7 93.32 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -54.45 -43.51 71.71 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.81 -41.97 99.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.688 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -58.98 -48.94 79.75 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.468 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.7 m-85 -60.22 -42.06 94.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.634 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.91 95.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.694 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.95 88.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.613 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.4 -46.23 91.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.309 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -55.59 -43.14 75.72 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.692 ' NE2' ' HB1' ' B' ' 36' ' ' ALA . 98.0 mt-30 -60.17 -40.99 91.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.869 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.12 94.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.765 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.95 -29.36 70.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.004 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -83.22 -5.9 59.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.405 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.0 18.17 63.7 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -100.64 78.01 1.95 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.762 0.315 . . . . 0.0 110.331 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -65.09 -33.49 76.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.635 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.84 77.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.048 0.451 . . . . 0.0 110.757 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.692 ' HB1' ' NE2' ' B' ' 28' ' ' GLN . . . -65.25 -34.78 79.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.393 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.0 86.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.543 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.31 -42.05 98.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.597 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.43 93.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.659 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . 0.596 ' CE ' ' NE2' ' B' ' 28' ' ' GLN . 46.1 mtt -65.44 -40.81 93.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.445 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 18.6 mmt -62.41 -43.02 99.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.599 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.32 -45.9 91.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.414 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.7 -41.97 98.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.3 t -61.53 -46.59 89.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.529 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.36 -43.06 96.89 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.345 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 94.0 mtp -61.55 -42.73 99.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.295 0.569 . . . . 0.0 110.625 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.8 98.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.158 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.483 HD21 ' CB ' ' B' ' 18' ' ' ALA . 96.4 mt -65.96 -39.96 90.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.741 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 51.0 t-20 -61.03 -41.47 96.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.349 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.34 -39.69 92.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.185 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.532 ' HB1' HD21 ' B' ' 81' ' ' LEU . . . -67.38 -44.94 77.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.472 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.93 -38.66 89.29 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.302 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.24 -43.89 98.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.277 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.67 -43.98 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.998 0.428 . . . . 0.0 110.081 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.765 HE22 HD23 ' B' ' 74' ' ' LEU . 0.6 OUTLIER -60.11 -41.73 93.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.276 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 74.5 m -56.74 -43.94 81.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.0 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.04 -40.0 95.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.489 HD22 ' CD2' ' B' ' 4' ' ' LEU . 98.3 mt -63.15 -30.82 71.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.669 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -86.64 -31.24 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.745 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.865 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.2 t . . . . . 0 N--CA 1.463 0.182 0 CA-C-O 120.889 0.376 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.541 ' O ' HG23 ' B' ' 75' ' ' VAL . 97.8 p -130.57 166.12 21.29 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.5 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.38 -43.69 96.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.538 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.591 HG13 HG21 ' B' ' 8' ' ' VAL . 56.0 t -62.65 -47.05 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.659 -178.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.765 HD23 HE22 ' B' ' 55' ' ' GLN . 82.7 mt -64.23 -41.89 96.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 71' ' ' SER . 53.5 t -60.36 -47.9 90.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.354 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -58.58 -45.83 88.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.303 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.29 97.14 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.861 0.362 . . . . 0.0 110.402 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -63.88 -40.42 96.47 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.209 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.472 ' O ' HG23 ' B' ' 83' ' ' THR . 40.3 tp -57.27 -47.96 80.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.38 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -67.33 -47.62 69.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.781 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.532 HD21 ' HB1' ' B' ' 51' ' ' ALA . 14.2 mt -62.16 -45.0 95.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.32 -44.28 96.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.238 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.472 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.6 p -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.151 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.39 -47.82 82.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.58 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.47 -48.53 80.45 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.474 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.74 -45.32 94.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.1 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.54 88.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.876 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.57 -45.36 94.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.251 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.463 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.3 mt-10 -61.17 -49.11 78.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.146 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.22 -41.21 94.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.0 109.975 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.495 HD13 ' HB1' ' B' ' 22' ' ' ALA . 31.9 mt -59.91 -42.05 88.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.216 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.445 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 98.9 m -58.56 -45.75 88.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.056 0.455 . . . . 0.0 109.818 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.92 -42.22 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.557 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.0 mt -59.96 -43.25 95.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.21 -42.22 92.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.56 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -59.8 -39.56 85.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.759 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.811 HD21 ' NE2' ' C' ' 98' ' ' HIS . 35.8 mt -62.15 -41.44 98.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.829 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.804 ' NE2' HD21 ' A' ' 97' ' ' LEU . 75.6 m80 -60.02 -40.44 89.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.78 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -63.9 -38.4 90.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.142 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -62.94 -39.8 95.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.177 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.406 179.703 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.646 ' O ' HG23 ' C' ' 8' ' ' VAL . 98.5 mt . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.546 0.212 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.4 -47.35 79.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.859 0.361 . . . . 0.0 110.396 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -66.65 -37.24 84.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.354 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.502 HG11 HD11 ' C' ' 58' ' ' LEU . 74.9 t -63.39 -42.01 94.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.387 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.646 HG23 ' O ' ' C' ' 4' ' ' LEU . 74.7 t -60.63 -45.1 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.012 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.04 -40.52 85.32 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.11 -42.3 96.64 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.8 -42.84 99.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.321 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.07 -44.3 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.688 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.87 -44.12 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.057 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.01 -46.73 89.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.819 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 67.4 m -59.33 -44.29 92.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.197 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.96 -42.02 99.77 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.25 -41.93 99.12 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.487 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -57.74 -49.5 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.36 -45.98 91.58 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.2 m -54.31 -43.65 71.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.45 -42.24 99.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.762 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.492 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -58.49 -49.3 77.84 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.463 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.5 m-85 -60.17 -42.32 94.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.477 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.47 96.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.82 89.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.524 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.67 -45.67 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.484 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -56.04 -42.57 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . 0.692 ' NE2' ' HB1' ' C' ' 36' ' ' ALA . 97.8 mt-30 -60.88 -40.54 93.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.96 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.61 95.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.796 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.39 -29.72 70.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.041 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -83.02 -5.52 59.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.458 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.43 18.54 64.04 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.87 78.36 1.94 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.826 0.346 . . . . 0.0 110.317 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -65.32 -33.64 76.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.59 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.73 78.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.96 0.41 . . . . 0.0 110.644 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . 0.692 ' HB1' ' NE2' ' C' ' 28' ' ' GLN . . . -65.41 -35.14 80.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.422 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.8 87.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.487 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.662 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.51 93.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.694 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . 0.576 ' CE ' ' NE2' ' C' ' 28' ' ' GLN . 46.0 mtt -65.42 -40.62 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.572 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.483 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 19.2 mmt -62.25 -43.35 99.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.575 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.41 -45.85 91.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.443 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.7 -41.97 98.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.31 -46.69 89.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.561 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -60.55 -42.83 97.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.343 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.0 mtp -61.7 -42.66 99.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.259 0.552 . . . . 0.0 110.495 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.13 98.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.322 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.487 HD21 ' CB ' ' C' ' 18' ' ' ALA . 96.9 mt -65.73 -39.81 91.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.731 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 51.3 t-20 -61.38 -41.57 97.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.352 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -64.92 -40.11 94.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.048 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' C' ' 81' ' ' LEU . . . -67.1 -45.38 77.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.423 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -61.5 -38.5 87.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.302 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 41.1 mt -61.73 -43.37 98.99 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.311 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -64.03 -43.87 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.015 0.436 . . . . 0.0 109.977 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.763 HE22 HD23 ' C' ' 74' ' ' LEU . 0.6 OUTLIER -60.23 -41.92 94.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.237 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 76.7 m -56.37 -44.17 79.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.176 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.92 -40.15 95.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.496 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.502 HD11 HG11 ' C' ' 7' ' ' VAL . 98.4 mt -62.82 -30.76 71.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.8 -179.554 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.553 ' O ' HG23 ' C' ' 75' ' ' VAL . 99.5 p . . . . . 0 C--O 1.226 -0.14 0 CA-C-O 121.035 0.445 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.95 -43.22 99.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.627 -177.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.538 HG13 HG21 ' C' ' 8' ' ' VAL . 53.7 t -63.69 -47.2 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 130.181 3.393 . . . . 0.0 110.621 -178.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.763 HD23 HE22 ' C' ' 55' ' ' GLN . 85.9 mt -66.68 -41.68 87.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.066 0.46 . . . . 0.0 110.943 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.553 HG23 ' O ' ' C' ' 71' ' ' SER . 54.4 t -60.61 -48.02 90.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.251 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -58.94 -45.62 89.98 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.75 96.82 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.824 0.345 . . . . 0.0 110.358 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -64.44 -40.22 95.32 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.484 ' O ' HG23 ' C' ' 83' ' ' THR . 39.0 tp -57.36 -47.87 80.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.485 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -67.35 -48.14 68.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.727 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . 0.539 HD21 ' HB1' ' C' ' 51' ' ' ALA . 14.1 mt -61.68 -45.37 94.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.844 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.77 -44.41 96.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.381 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.484 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.0 p -62.67 -47.36 84.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.186 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.02 -47.77 83.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.613 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -58.52 -48.48 80.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.491 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.84 -45.35 94.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.164 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.94 -46.72 87.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.945 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.33 -45.6 93.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.113 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.94 -49.04 79.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 0.0 110.13 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.36 -41.49 93.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.147 0.499 . . . . 0.0 109.984 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.492 HD13 ' HB1' ' C' ' 22' ' ' ALA . 32.1 mt -59.66 -42.24 87.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.39 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.483 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 98.1 m -58.23 -45.92 86.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.065 0.459 . . . . 0.0 109.918 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.84 -42.25 99.67 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.0 mt -59.94 -42.92 95.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.32 -42.22 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.602 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.05 -39.15 84.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.778 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.51 HD21 ' NE2' ' A' ' 98' ' ' HIS . 37.5 mt -62.19 -41.88 98.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.914 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.811 ' NE2' HD21 ' B' ' 97' ' ' LEU . 76.0 m80 -59.79 -40.4 88.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.794 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -63.95 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.159 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.79 -39.76 95.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.209 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.256 179.835 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.518 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 121.89 0.852 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.461 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.71 142.97 36.84 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.02 156.23 38.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.046 -1.034 . . . . 0.0 109.558 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.1 149.17 28.51 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.16 152.31 18.94 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.04 -1.037 . . . . 0.0 108.434 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.8 144.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.7 136.66 36.92 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.144 0.973 . . . . 0.0 110.125 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . 0.404 HD13 HG21 ' D' ' 308' ' ' ILE . 50.7 mt -85.03 114.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 177.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.92 -4.28 19.29 Favored 'General case' 0 C--N 1.265 -3.106 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.77 85.66 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 119.658 -1.901 . . . . 0.0 110.591 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -45.39 -47.7 12.62 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 124.72 3.613 . . . . 0.0 114.181 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.592 HD22 ' C ' ' D' ' 312' ' ' ASN . 0.1 OUTLIER -102.13 27.52 6.58 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 116.075 -2.25 . . . . 0.0 108.779 179.407 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.52 -145.21 48.85 Favored Glycine 0 N--CA 1.496 2.697 0 C-N-CA 117.74 -2.172 . . . . 0.0 109.623 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.4 tp -97.58 80.67 2.85 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.866 -1.373 . . . . 0.0 109.555 -176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.502 ' CD2' ' OD1' ' D' ' 312' ' ' ASN . 2.7 p80 -83.15 174.46 10.78 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 117.896 -1.522 . . . . 0.0 112.132 -178.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.8 p -30.5 -69.03 0.07 Allowed 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 117.277 2.325 . . . . 0.0 117.277 -176.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.536 ' N ' ' OG1' ' D' ' 316' ' ' THR . 4.2 tpt85 -48.71 -60.57 4.36 Favored Pre-proline 0 N--CA 1.494 1.73 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.529 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.13 -32.28 63.82 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.937 1.758 . . . . 0.0 111.485 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.47 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.0 -38.85 86.76 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.476 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.78 72.73 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.89 -39.44 94.2 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 118.036 -1.466 . . . . 0.0 109.504 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.66 -45.36 93.16 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 122.61 1.195 . . . . 0.0 108.651 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.618 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 53.0 t -62.68 -42.17 95.07 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.285 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.649 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.517 ' NZ ' HD13 ' A' ' 13' ' ' ILE . 80.1 mttt -63.98 -40.23 95.92 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.268 -0.895 . . . . 0.0 109.751 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.524 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.66 80.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.49 -0.756 . . . . 0.0 109.578 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.02 91.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.645 -1.284 . . . . 0.0 109.411 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . 0.618 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.3 mttp -61.35 -16.23 44.13 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.337 -0.852 . . . . 0.0 113.264 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.55 86.1 Favored Glycine 0 N--CA 1.479 1.541 0 O-C-N 119.946 -1.721 . . . . 0.0 109.344 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.411 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.48 143.34 32.84 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.295 -1.709 . . . . 0.0 109.944 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.67 -30.03 59.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.206 -0.934 . . . . 0.0 112.293 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.83 158.59 10.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 119.765 -1.835 . . . . 0.0 112.796 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.98 130.16 35.25 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 102.827 -3.027 . . . . 0.0 102.827 171.295 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.65 136.53 60.54 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 O-C-N 121.101 -1.0 . . . . 0.0 109.34 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.84 143.23 50.93 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-O 123.041 1.401 . . . . 0.0 110.015 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.8 t -108.16 129.92 61.59 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.754 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 173.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.417 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.8 m -127.45 119.69 26.68 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.898 -1.126 . . . . 0.0 108.894 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.67 122.57 39.1 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.507 -0.746 . . . . 0.0 109.921 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 39.05 24.51 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.917 -1.114 . . . . 0.0 112.797 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 10.98 83.66 Favored Glycine 0 N--CA 1.502 3.047 0 O-C-N 119.97 -1.706 . . . . 0.0 112.572 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.81 136.3 54.52 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.81 158.54 33.13 Favored 'General case' 0 C--N 1.275 -2.671 0 CA-C-O 123.8 1.762 . . . . 0.0 112.424 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.36 31.31 Favored 'General case' 0 C--N 1.279 -2.497 0 CA-C-N 112.501 -2.136 . . . . 0.0 108.604 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.59 136.02 48.9 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 105.553 -2.018 . . . . 0.0 105.553 173.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.81 47.94 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.69 -1.256 . . . . 0.0 110.753 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.45 12.93 31.57 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.679 -1.263 . . . . 0.0 109.39 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 84.5 p -133.05 104.22 6.42 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 122.195 0.998 . . . . 0.0 110.091 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 43.1 tp -57.34 -37.87 73.22 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.94 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -58.9 -51.37 70.32 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.539 -1.351 . . . . 0.0 113.063 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.06 -32.38 70.46 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 119.479 -2.013 . . . . 0.0 109.262 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.8 -33.76 75.87 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.932 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -67.7 -10.43 52.31 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.607 -0.683 . . . . 0.0 110.004 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.3 p -89.75 -7.81 53.65 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.95 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.2 159.33 15.33 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.304 -0.873 . . . . 0.0 110.202 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.79 2.96 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 106.952 -2.459 . . . . 0.0 106.952 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.0 mt -119.59 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.226 0 O-C-N 120.738 -1.448 . . . . 0.0 107.453 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.418 ' CG2' HG21 ' C' ' 56' ' ' THR . 69.3 p -81.45 172.52 13.42 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 118.74 -1.184 . . . . 0.0 109.259 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.67 140.91 57.29 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.879 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.24 78.89 Favored Glycine 0 N--CA 1.5 2.962 0 C-N-CA 120.002 -1.095 . . . . 0.0 111.329 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.37 135.94 34.08 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.91 -1.347 . . . . 0.0 110.622 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.59 123.72 49.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.11 160.07 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 119.973 -1.705 . . . . 0.0 110.656 178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.417 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.2 m -108.89 128.41 54.89 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.539 -1.35 . . . . 0.0 107.619 175.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.93 121.38 60.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.401 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.2 50.7 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.5 47.27 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.788 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.518 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.74 6.4 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 118.561 -1.256 . . . . 0.0 108.025 178.233 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.29 40.17 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.031 -2.033 . . . . 0.0 110.385 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.62 82.58 Favored 'General case' 0 C--N 1.275 -2.631 0 CA-C-N 114.42 -0.89 . . . . 0.0 112.209 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.1 36.77 3.56 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 115.843 -2.343 . . . . 0.0 108.561 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.51 65.73 Favored 'General case' 0 N--CA 1.521 3.123 0 N-CA-C 116.871 2.174 . . . . 0.0 116.871 -174.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.414 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.93 -45.59 27.3 Favored 'General case' 0 N--CA 1.509 2.503 0 O-C-N 119.611 -1.931 . . . . 0.0 110.95 -176.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.827 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.56 -40.77 97.83 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.04 -49.55 77.45 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 117.464 -1.695 . . . . 0.0 110.024 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.78 -42.25 89.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 CA-C-O 122.248 1.023 . . . . 0.0 109.252 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.9 -47.9 76.6 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-O 122.101 0.953 . . . . 0.0 108.763 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.827 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.75 -38.39 76.78 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.687 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.7 mt -75.63 -28.57 58.86 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.327 -1.483 . . . . 0.0 110.863 -174.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.53 71.2 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.498 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.85 -49.35 62.64 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.524 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.21 -45.15 84.08 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.004 -1.079 . . . . 0.0 110.564 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.49 -37.31 85.48 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.893 -1.13 . . . . 0.0 111.486 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.85 -31.85 61.75 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.041 -1.037 . . . . 0.0 110.275 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.92 -32.25 45.59 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.466 -0.772 . . . . 0.0 111.348 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.18 125.51 12.52 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 124.355 2.026 . . . . 0.0 112.895 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 11.1 pt-20 . . . . . 0 C--N 1.278 -2.537 0 CA-C-N 111.065 -2.789 . . . . 0.0 110.133 -177.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 8' ' ' VAL . 98.3 mt . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -64.41 -45.27 88.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.915 0.388 . . . . 0.0 110.33 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.99 -35.51 80.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.312 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.429 HG11 HD11 ' A' ' 58' ' ' LEU . 79.4 t -64.33 -42.59 95.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.603 HG21 HG13 ' A' ' 73' ' ' VAL . 86.8 t -60.45 -44.71 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.971 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -58.51 -42.04 86.81 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.16 97.46 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.44 -43.4 97.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.188 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.52 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.726 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.517 HD13 ' NZ ' ' D' ' 324' ' ' LYS . 86.6 mt -63.66 -44.25 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.972 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -60.81 -46.28 91.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.809 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -60.35 -43.98 95.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.924 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.13 99.09 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.482 ' CG ' HH21 ' D' ' 317' ' ' ARG . 85.5 mt-30 -63.56 -43.04 98.22 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.15 -49.82 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.877 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.484 HH12 ' HB2' ' A' ' 87' ' ' ALA . 63.7 ttm-85 -59.97 -47.15 86.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -53.37 -43.38 67.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.56 -42.1 99.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.734 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.86 75.89 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.78 -44.55 93.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.626 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.8 93.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.785 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.87 81.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.698 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.04 -45.22 95.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.423 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -55.73 -42.32 75.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.203 0.525 . . . . 0.0 109.585 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.58 -41.9 95.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.875 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.06 90.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.748 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.86 -29.24 70.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.181 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -81.88 -5.06 57.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.513 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.49 17.09 64.91 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -99.29 77.81 2.16 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.742 0.306 . . . . 0.0 110.305 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -65.38 -34.81 79.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.649 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.37 74.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.083 0.468 . . . . 0.0 110.733 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.62 81.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.408 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.26 80.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -62.12 -44.82 95.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.554 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.52 96.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.775 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.4 mtp -65.63 -39.76 91.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.73 -41.7 98.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.624 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -63.46 -41.61 98.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.975 0.417 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.74 -40.85 97.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.9 t -61.63 -45.15 95.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.562 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -60.66 -42.35 96.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.341 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.2 tpp -60.97 -43.34 98.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.221 0.534 . . . . 0.0 110.557 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.3 98.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.167 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.406 HD12 ' NE ' ' A' ' 88' ' ' ARG . 90.6 mt -66.47 -39.47 88.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.704 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -60.11 -42.81 95.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.3 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.06 -38.91 92.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.255 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.52 75.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.47 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -61.35 -39.02 89.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.432 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.75 -44.66 96.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.301 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.7 -43.11 93.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.973 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.476 HE22 ' CG1' ' A' ' 59' ' ' ILE . 10.2 tm0? -59.96 -44.0 94.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.212 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -56.87 -42.25 79.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.034 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.08 -39.23 91.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.954 0.407 . . . . 0.0 110.5 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.54 HD22 HD22 ' A' ' 4' ' ' LEU . 95.9 mt -63.46 -29.64 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.677 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.476 ' CG1' HE22 ' A' ' 55' ' ' GLN . 96.7 mt -86.23 -31.61 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.795 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.468 179.869 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.481 ' CG1' ' OE1' ' B' ' 76' ' ' GLU . 2.3 m . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 120.928 0.394 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 75' ' ' VAL . 84.2 p -129.97 162.68 28.12 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.6 mt -58.6 -41.73 86.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.654 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.603 HG13 HG21 ' A' ' 8' ' ' VAL . 79.8 t -64.44 -46.04 94.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.381 . . . . 0.0 110.498 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.36 -41.58 98.84 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 120.983 0.421 . . . . 0.0 110.881 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 71' ' ' SER . 64.7 t -60.06 -46.74 93.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.223 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -58.86 -45.51 89.95 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.342 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.52 93.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.646 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.501 HE21 ' CG ' ' A' ' 82' ' ' MET . 47.4 tp60 -63.87 -41.89 97.65 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.165 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 83' ' ' THR . 44.9 tp -57.42 -46.17 83.81 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.458 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -67.45 -47.4 70.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.752 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.51 -45.35 94.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.839 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.501 ' CG ' HE21 ' A' ' 78' ' ' GLN . 89.0 mmm -61.69 -43.75 98.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.171 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.1 p -63.37 -47.03 83.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.097 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.8 m -62.22 -48.75 78.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.432 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.61 -48.74 79.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.731 0.3 . . . . 0.0 110.572 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.55 -45.3 93.55 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.112 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.484 ' HB2' HH12 ' A' ' 19' ' ' ARG . . . -59.32 -49.79 76.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.811 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.406 ' NE ' HD12 ' A' ' 48' ' ' LEU . 73.8 ttp85 -58.49 -45.26 89.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.157 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -60.2 -46.94 88.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.067 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.35 -41.64 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.21 0.528 . . . . 0.0 109.842 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.49 -42.57 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.305 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -58.51 -45.34 89.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.022 0.439 . . . . 0.0 109.864 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.469 ' OE1' HD13 ' B' ' 94' ' ' LEU . 97.0 mt-10 -62.89 -41.95 99.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.599 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.517 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.7 mt -59.42 -42.99 93.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.61 -42.57 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.536 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.62 -38.24 86.91 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.6 mt -63.14 -41.37 99.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.851 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.4 m80 -59.8 -40.45 88.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.55 -39.59 84.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.15 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.81 -36.1 82.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.368 179.748 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.568 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.8 mt . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.535 0.207 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.63 -45.22 87.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.96 0.409 . . . . 0.0 110.368 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -67.01 -35.64 80.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.175 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.439 HG11 HD11 ' B' ' 58' ' ' LEU . 78.9 t -64.23 -42.44 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.312 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.582 HG21 HG13 ' B' ' 73' ' ' VAL . 85.0 t -60.72 -44.64 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.848 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.68 -41.83 87.12 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.04 97.33 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.209 -1.157 . . . . 0.0 110.209 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.51 -43.42 97.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.4 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.6 -44.41 98.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.718 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.61 -44.2 98.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.962 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -61.16 -45.99 92.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.859 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -60.43 -43.72 96.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.078 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.43 -43.19 98.61 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.42 -43.19 98.21 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.425 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.2 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.842 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.488 HH12 ' HB2' ' B' ' 87' ' ' ALA . 63.4 ttm-85 -59.9 -47.13 87.01 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -53.6 -42.92 68.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.81 -42.14 99.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.685 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.81 76.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.79 -44.5 93.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.634 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.94 94.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.736 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.14 -42.95 81.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.622 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.13 -45.2 95.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.309 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -55.83 -42.37 75.62 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.58 -41.66 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.904 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.35 91.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.681 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.39 -29.66 70.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.083 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.6 -5.11 57.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.332 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.81 16.41 65.64 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -98.87 78.03 2.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.777 0.322 . . . . 0.0 110.313 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -65.73 -34.95 79.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.658 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.21 76.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.095 0.474 . . . . 0.0 110.81 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.8 82.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.423 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.02 -47.7 79.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -61.66 -45.49 93.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.522 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.99 96.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.717 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 45.9 mtp -65.4 -39.81 92.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.465 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 2.4 mmt -61.63 -41.95 98.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.582 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -63.4 -41.48 98.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.47 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.73 -41.06 98.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.225 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -61.38 -45.37 94.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.549 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -60.45 -42.37 96.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.285 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 35.8 tpp -61.06 -42.92 99.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.287 0.565 . . . . 0.0 110.62 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.04 99.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.171 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' B' ' 18' ' ' ALA . 92.1 mt -66.71 -39.53 88.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.777 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . 0.419 ' C ' ' OD1' ' B' ' 49' ' ' ASN . 49.4 t-20 -59.93 -42.97 95.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.311 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.88 -39.49 93.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.17 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.64 -44.61 77.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.428 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.53 -38.85 88.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.301 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 44.3 mt -60.79 -44.34 96.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.326 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -66.19 -42.65 91.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 0.0 110.055 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.48 HE22 ' CG1' ' B' ' 59' ' ' ILE . 10.0 tm0? -60.28 -43.63 96.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.215 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -57.15 -42.93 81.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.913 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.39 -39.54 91.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.876 0.369 . . . . 0.0 110.529 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.516 HD22 HD22 ' B' ' 4' ' ' LEU . 96.0 mt -63.09 -29.91 71.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.727 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.48 ' CG1' HE22 ' B' ' 55' ' ' GLN . 96.7 mt -86.08 -31.72 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.704 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.536 179.788 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.454 ' CG1' ' OE1' ' C' ' 76' ' ' GLU . 2.7 m . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.873 0.368 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.45 ' O ' HG23 ' B' ' 75' ' ' VAL . 91.2 p -129.69 164.34 24.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.551 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.62 -41.81 95.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.545 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.582 HG13 HG21 ' B' ' 8' ' ' VAL . 75.0 t -63.27 -45.37 98.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.645 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.69 -41.29 98.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 71' ' ' SER . 57.6 t -60.14 -47.19 93.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.296 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.481 ' OE1' ' CG1' ' A' ' 70' ' ' VAL . 81.6 tt0 -58.58 -45.92 88.05 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.26 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.54 95.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.916 0.388 . . . . 0.0 110.406 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.496 HE21 ' CG ' ' B' ' 82' ' ' MET . 47.1 tp60 -63.78 -41.84 97.87 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.502 ' O ' HG23 ' B' ' 83' ' ' THR . 45.6 tp -57.51 -46.13 84.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.375 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -67.51 -47.45 69.93 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.694 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.41 -45.5 94.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . 0.496 ' CG ' HE21 ' B' ' 78' ' ' GLN . 89.3 mmm -61.48 -44.17 97.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.502 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.2 p -62.69 -47.2 84.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.141 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 71.0 m -62.18 -48.74 78.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.622 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -58.74 -48.84 79.78 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.471 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.44 -45.32 93.62 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.129 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . 0.488 ' HB2' HH12 ' B' ' 19' ' ' ARG . . . -59.3 -49.91 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.877 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 73.8 ttp85 -58.46 -45.09 89.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.262 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -60.32 -47.07 87.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.16 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' B' ' 90' ' ' LEU . 94.7 mt -65.26 -41.3 94.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.1 0.476 . . . . 0.0 110.009 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.76 -42.56 92.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.223 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.465 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 19.5 m -58.47 -45.44 88.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.083 0.468 . . . . 0.0 109.857 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.461 ' OE1' HD13 ' C' ' 94' ' ' LEU . 97.3 mt-10 -62.79 -42.25 99.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.498 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.499 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.4 mt -59.14 -43.17 91.99 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.41 -42.72 92.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.554 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.26 -38.58 87.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.763 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.2 mt -62.98 -41.04 99.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.854 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.499 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.5 m80 -59.96 -40.42 89.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.104 0.478 . . . . 0.0 109.811 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -59.61 -39.49 84.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.054 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.09 -35.96 82.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.176 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.373 179.778 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.578 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.4 mt . . . . . 0 N--CA 1.456 -0.13 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -65.13 -44.8 87.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 110.377 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -67.31 -35.46 79.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.329 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.422 HG11 HD11 ' C' ' 58' ' ' LEU . 79.0 t -64.25 -42.64 96.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.362 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.578 HG23 ' O ' ' C' ' 4' ' ' LEU . 86.0 t -60.52 -44.52 96.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.942 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.0 mtp -58.9 -42.04 88.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.49 97.83 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.1 -43.63 97.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.395 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.36 -44.58 99.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.689 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.38 -44.01 98.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.053 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -61.34 -46.33 90.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.839 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -60.04 -44.05 94.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.146 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.87 99.02 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -63.58 -43.09 97.98 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.421 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.19 -49.86 75.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.802 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.482 HH12 ' HB2' ' C' ' 87' ' ' ALA . 63.5 ttm-85 -59.99 -46.84 88.13 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -53.5 -43.2 68.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.85 -42.38 99.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.712 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.84 76.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.85 -44.52 94.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.545 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.69 94.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.706 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.27 -42.98 82.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.605 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.96 -45.25 95.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.429 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -56.03 -42.3 76.3 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.55 -41.55 94.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.115 0.483 . . . . 0.0 109.898 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.45 92.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.784 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.56 -29.17 69.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.075 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.83 -5.14 57.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.413 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.73 16.81 64.97 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -99.08 78.12 2.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.708 0.29 . . . . 0.0 110.262 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -65.63 -34.58 78.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.591 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.48 -49.02 75.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.076 0.465 . . . . 0.0 110.707 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.4 81.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.464 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -47.64 77.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -61.6 -45.27 94.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.603 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.02 95.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.733 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 46.5 mtp -65.16 -39.99 93.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 2.4 mmt -61.59 -41.82 97.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.594 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -63.39 -41.79 98.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.51 -41.0 98.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.293 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -61.3 -45.49 94.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.66 -42.07 96.3 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.387 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 36.1 tpp -61.07 -43.73 98.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.332 0.586 . . . . 0.0 110.523 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.45 98.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.291 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.421 HD21 ' CB ' ' C' ' 18' ' ' ALA . 90.6 mt -66.47 -39.75 88.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.704 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . 0.41 ' C ' ' OD1' ' C' ' 49' ' ' ASN . 50.7 t-20 -59.91 -42.93 94.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.375 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.65 -39.59 93.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.035 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.71 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.405 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.39 -39.16 89.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.301 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.72 -44.11 97.04 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.319 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.09 -43.1 92.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.451 . . . . 0.0 109.967 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.462 HE22 ' CG1' ' C' ' 59' ' ' ILE . 9.8 tm0? -59.92 -43.73 94.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.238 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.418 HG21 ' CG2' ' D' ' 356' ' ' THR . 18.5 m -57.2 -42.59 81.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.158 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -39.07 90.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.357 . . . . 0.0 110.481 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.515 HD22 HD22 ' C' ' 4' ' ' LEU . 96.0 mt -63.43 -29.5 70.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.462 ' CG1' HE22 ' C' ' 55' ' ' GLN . 96.9 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.858 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.471 ' O ' HG23 ' C' ' 75' ' ' VAL . 90.1 p . . . . . 0 N--CA 1.461 0.117 0 CA-C-O 121.046 0.451 . . . . 0.0 110.492 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.41 -41.41 98.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.682 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.574 HG13 HG21 ' C' ' 8' ' ' VAL . 73.8 t -64.18 -46.03 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 130.061 3.344 . . . . 0.0 110.668 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.42 -40.82 93.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.09 0.471 . . . . 0.0 110.981 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.471 HG23 ' O ' ' C' ' 71' ' ' SER . 61.9 t -60.64 -47.82 91.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.17 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.454 ' OE1' ' CG1' ' B' ' 70' ' ' VAL . 80.8 tt0 -58.41 -46.0 87.31 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.305 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.66 95.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.862 0.363 . . . . 0.0 110.435 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . 0.507 HE21 ' CG ' ' C' ' 82' ' ' MET . 47.3 tp60 -63.72 -41.69 98.04 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.264 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.486 ' O ' HG23 ' C' ' 83' ' ' THR . 45.2 tp -57.57 -46.3 84.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.503 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -67.46 -47.3 70.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.737 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.56 -45.58 93.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.748 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . 0.507 ' CG ' HE21 ' C' ' 78' ' ' GLN . 89.5 mmm -61.56 -43.86 98.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.305 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.486 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.3 p -63.03 -47.05 84.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.195 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 71.3 m -62.3 -48.64 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.597 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.79 -48.49 81.09 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.7 0.286 . . . . 0.0 110.526 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.94 -45.34 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.096 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . 0.482 ' HB2' HH12 ' C' ' 19' ' ' ARG . . . -59.23 -49.88 76.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.918 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -58.26 -45.5 87.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.249 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -59.84 -47.25 86.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.14 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.1 -41.45 94.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.181 0.515 . . . . 0.0 110.091 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -60.76 -42.17 91.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.347 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.1 m -58.91 -45.01 91.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.136 0.493 . . . . 0.0 109.957 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.17 -42.09 99.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.455 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.516 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.4 mt -59.19 -42.97 92.12 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.68 -42.69 92.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.565 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.11 -38.67 87.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.707 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 97' ' ' LEU . 35.3 mt -62.79 -41.4 99.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.853 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.8 m80 -59.94 -40.36 88.68 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.71 -39.51 84.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.103 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.89 -35.85 82.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.251 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.333 179.784 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.524 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 121.965 0.888 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.86 143.04 36.56 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.22 38.37 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.974 -1.078 . . . . 0.0 109.568 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.11 149.2 28.54 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.33 18.92 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.967 -1.083 . . . . 0.0 108.42 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.87 144.36 19.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.77 136.62 37.05 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.152 0.977 . . . . 0.0 110.113 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.99 114.3 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.78 -4.34 19.44 Favored 'General case' 0 C--N 1.265 -3.08 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.814 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.77 85.68 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 119.644 -1.91 . . . . 0.0 110.634 178.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.4 -47.8 12.5 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 124.756 3.637 . . . . 0.0 114.142 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.686 HD22 ' CD2' ' C' ' 52' ' ' HIS . 11.1 m120 -102.06 27.56 6.5 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 116.029 -2.268 . . . . 0.0 108.77 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.03 -142.19 47.56 Favored Glycine 0 N--CA 1.496 2.664 0 C-N-CA 117.722 -2.18 . . . . 0.0 109.591 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' D' ' 314' ' ' LEU . 13.3 tp -88.7 72.65 8.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.849 -1.383 . . . . 0.0 109.489 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.673 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.2 p80 -64.55 176.21 1.18 Allowed 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 117.914 -1.515 . . . . 0.0 112.124 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 30.8 p -41.5 -66.2 0.36 Allowed 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 117.208 2.299 . . . . 0.0 117.208 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.463 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 5.3 tmm_? -57.21 -50.9 85.55 Favored Pre-proline 0 N--CA 1.493 1.717 0 C-N-CA 120.116 -0.633 . . . . 0.0 112.504 -177.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.3 -32.17 61.99 Favored 'Trans proline' 0 N--CA 1.484 0.95 0 C-N-CA 120.64 0.893 . . . . 0.0 111.465 -178.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.473 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.04 -38.79 86.51 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.18 -0.95 . . . . 0.0 109.502 -179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.561 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.98 -39.67 72.37 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -63.99 -39.31 93.84 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 117.91 -1.516 . . . . 0.0 109.522 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.442 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.34 93.23 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.621 1.2 . . . . 0.0 108.694 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.473 HG23 ' O ' ' D' ' 319' ' ' ALA . 54.9 t -62.69 -42.22 95.28 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.612 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.489 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.0 mttt -63.96 -40.26 96.02 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.171 -0.955 . . . . 0.0 109.721 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.77 -39.57 80.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.434 -0.791 . . . . 0.0 109.641 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.04 91.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.615 -1.303 . . . . 0.0 109.409 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.37 -16.14 43.29 Favored 'General case' 0 N--CA 1.512 2.636 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.92 -10.6 86.1 Favored Glycine 0 N--CA 1.479 1.56 0 O-C-N 119.855 -1.778 . . . . 0.0 109.28 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.49 143.36 32.82 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.291 -1.711 . . . . 0.0 110.003 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.5 p -75.61 -30.06 59.42 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.307 -0.871 . . . . 0.0 112.333 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.72 158.52 10.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.81 -1.806 . . . . 0.0 112.794 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.574 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.97 130.3 35.41 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 102.828 -3.027 . . . . 0.0 102.828 171.218 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.63 60.25 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.434 0 CA-C-O 122.206 1.003 . . . . 0.0 109.25 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -125.0 143.13 51.06 Favored 'General case' 0 C--N 1.285 -2.238 0 CA-C-O 123.084 1.421 . . . . 0.0 110.005 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.1 t -108.05 129.98 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.732 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 173.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.51 119.56 26.32 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.895 -1.128 . . . . 0.0 108.954 -178.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.54 39.13 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.936 177.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.78 38.96 24.51 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.877 -1.139 . . . . 0.0 112.746 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.08 83.52 Favored Glycine 0 N--CA 1.503 3.164 0 O-C-N 119.953 -1.717 . . . . 0.0 112.511 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.85 136.28 54.54 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.83 158.56 33.12 Favored 'General case' 0 C--N 1.275 -2.634 0 CA-C-O 123.832 1.777 . . . . 0.0 112.384 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.42 31.46 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 112.413 -2.176 . . . . 0.0 108.635 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.63 135.95 48.78 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.98 -6.75 47.49 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.721 -1.237 . . . . 0.0 110.734 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.51 13.01 31.43 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.679 -1.263 . . . . 0.0 109.374 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.3 p -133.08 104.09 6.35 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 122.132 0.968 . . . . 0.0 110.088 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . 0.476 HD22 ' CE ' ' A' ' 9' ' ' MET . 56.3 tp -57.2 -37.88 72.86 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.948 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -58.9 -51.44 70.03 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.574 -1.329 . . . . 0.0 113.028 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.45 70.63 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 119.523 -1.985 . . . . 0.0 109.184 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.81 -33.77 75.89 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 118.956 -1.098 . . . . 0.0 109.907 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -67.71 -10.41 52.19 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.643 -0.661 . . . . 0.0 109.934 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.9 p -89.77 -7.72 53.81 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 118.138 -1.425 . . . . 0.0 110.888 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.2 mt -93.4 159.33 15.3 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.187 -0.946 . . . . 0.0 110.178 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.82 2.96 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 106.962 -2.455 . . . . 0.0 106.962 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . 0.438 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.4 mt -119.54 47.37 1.72 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.735 -1.45 . . . . 0.0 107.386 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.756 HG22 HG21 ' C' ' 56' ' ' THR . 5.9 p -81.43 172.57 13.37 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 118.764 -1.174 . . . . 0.0 109.218 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -60.7 140.9 57.34 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.867 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.18 79.09 Favored Glycine 0 N--CA 1.5 2.954 0 C-N-CA 120.076 -1.059 . . . . 0.0 111.391 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.39 135.9 34.09 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.94 -1.329 . . . . 0.0 110.696 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.49 123.66 48.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.13 160.09 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 C-N-CA 117.425 -1.71 . . . . 0.0 110.62 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 88.9 m -108.89 128.3 54.8 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 120.587 -1.321 . . . . 0.0 107.639 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.78 121.39 60.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 176.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.33 50.71 Favored 'General case' 0 C--N 1.286 -2.189 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -179.547 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.46 47.12 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 118.466 -1.294 . . . . 0.0 109.699 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.524 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.79 6.42 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 118.553 -1.259 . . . . 0.0 108.062 178.169 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.25 -170.36 40.18 Favored Glycine 0 C--N 1.296 -1.654 0 C-N-CA 117.99 -2.052 . . . . 0.0 110.334 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.59 82.63 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.402 -0.899 . . . . 0.0 112.174 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.1 36.84 3.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 118.963 -2.336 . . . . 0.0 108.543 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.49 -33.42 65.96 Favored 'General case' 0 N--CA 1.521 3.115 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.43 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.62 27.28 Favored 'General case' 0 N--CA 1.508 2.453 0 O-C-N 119.628 -1.92 . . . . 0.0 110.965 -176.616 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.837 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.62 -40.68 97.53 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.41 77.95 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.486 -1.686 . . . . 0.0 110.047 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.88 -42.28 88.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 CA-C-O 122.243 1.021 . . . . 0.0 109.212 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.8 -47.96 76.23 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-O 122.068 0.937 . . . . 0.0 108.758 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.837 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.8 -38.28 76.57 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.7 -178.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.2 mt -75.63 -28.57 58.85 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.38 -1.45 . . . . 0.0 110.865 -174.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.56 71.14 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.42 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.76 -49.31 63.17 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.23 -45.25 84.05 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.523 177.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.34 -37.38 85.43 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.9 -1.125 . . . . 0.0 111.546 -177.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.73 61.61 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.092 -1.005 . . . . 0.0 110.314 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.91 -32.37 45.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.558 -0.714 . . . . 0.0 111.325 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.06 125.46 12.24 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 124.341 2.02 . . . . 0.0 112.879 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.814 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.1 mt-10 . . . . . 0 C--N 1.277 -2.571 0 CA-C-N 111.167 -2.742 . . . . 0.0 110.111 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 8' ' ' VAL . 60.4 mt . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 110.48 -0.193 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -64.27 -47.26 80.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.928 0.394 . . . . 0.0 110.273 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -66.91 -38.06 85.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.232 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.9 t -62.91 -42.74 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.404 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 4' ' ' LEU . 77.0 t -59.89 -45.6 94.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.933 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.476 ' CE ' HD22 ' D' ' 347' ' ' LEU . 92.5 mtp -58.86 -41.66 87.53 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.87 -42.37 97.0 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.06 -42.62 99.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.199 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.94 -44.29 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.779 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.561 HD11 ' HB1' ' D' ' 320' ' ' ALA . 86.0 mt -63.46 -44.09 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.956 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -61.21 -46.63 89.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.816 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -60.28 -44.35 95.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.22 99.33 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.1 -43.28 98.92 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.02 78.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.72 -45.32 94.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.24 -45.05 80.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.743 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.553 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -56.82 -48.63 77.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.9 -40.24 88.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.554 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.78 88.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.782 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.63 89.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.727 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.486 ' HG ' ' HZ3' ' A' ' 30' ' ' LYS . 55.9 tp -61.28 -45.17 95.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.434 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.11 -42.1 76.31 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.11 -41.4 96.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.817 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.59 93.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.681 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HZ3' ' HG ' ' A' ' 26' ' ' LEU . 61.4 mttp -61.4 -28.72 69.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.133 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.3 -6.01 58.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.449 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 15.01 68.68 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.68 78.4 2.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.8 0.333 . . . . 0.0 110.314 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -65.99 -34.23 77.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.69 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.25 67.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.073 0.463 . . . . 0.0 110.765 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.38 -35.86 81.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.38 80.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.568 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.33 -42.53 95.86 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.642 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.5 90.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 52.3 mtt -64.81 -41.45 95.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 98.9 mmm -63.27 -41.17 99.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.631 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -62.33 -46.46 88.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.94 0.4 . . . . 0.0 110.549 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -64.06 -41.03 97.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.154 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.48 -46.75 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.728 ' NH1' HH22 ' A' ' 88' ' ' ARG . 62.0 ttm-85 -59.63 -42.99 93.95 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.304 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.94 -42.5 99.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.225 0.536 . . . . 0.0 110.539 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.201 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.12 -39.26 89.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.704 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -60.45 -43.21 97.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.222 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.15 -39.69 93.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.235 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.3 75.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -61.73 -39.13 90.48 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.365 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 mt -61.25 -43.99 97.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.318 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.19 -43.25 92.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.002 0.43 . . . . 0.0 109.964 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.9 -43.16 98.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.186 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -58.03 -42.68 85.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.067 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.71 -38.32 89.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.945 0.402 . . . . 0.0 110.555 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -65.76 -27.45 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.636 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -90.06 -32.63 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.856 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 -179.858 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.924 0.392 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 75' ' ' VAL . 96.7 p -130.45 162.93 28.07 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.0 mt -58.37 -43.49 88.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.716 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.615 HG13 HG21 ' A' ' 8' ' ' VAL . 72.2 t -64.22 -47.69 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.533 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.81 -41.18 97.94 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.045 0.45 . . . . 0.0 110.927 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 71' ' ' SER . 65.4 t -59.33 -46.98 92.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.176 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -59.65 -44.24 93.62 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.315 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.97 -44.3 89.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.682 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -63.51 -41.25 98.53 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.233 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 83' ' ' THR . 43.7 tp -57.14 -46.66 82.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.445 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -67.49 -47.1 71.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.68 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.55 -45.34 94.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.852 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -61.47 -42.75 99.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.236 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 79' ' ' LEU . 18.8 p -64.23 -45.62 87.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.158 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.5 p -62.68 -48.53 78.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.481 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 17.4 ttm -58.63 -47.76 83.31 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.563 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.64 -44.81 96.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.101 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.88 82.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.825 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.728 HH22 ' NH1' ' A' ' 45' ' ' ARG . 72.9 ttp85 -58.43 -45.25 88.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.115 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.432 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.2 mt-10 -61.62 -44.06 97.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.082 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.05 -42.79 96.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.167 0.508 . . . . 0.0 109.853 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.553 HD12 ' HB1' ' A' ' 22' ' ' ALA . 78.2 mt -60.48 -41.53 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.345 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.7 m -57.0 -45.54 82.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.52 -43.57 96.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.609 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.83 -43.4 94.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.46 -43.14 96.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.549 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -61.61 -38.35 87.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.772 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 97' ' ' LEU . 39.9 mt -62.33 -41.25 98.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.836 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -60.1 -39.28 85.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.51 -39.28 93.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.167 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.577 ' NZ ' ' CD2' ' B' ' 98' ' ' HIS . 98.5 mttt -64.73 -39.79 94.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.21 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.409 179.818 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.659 ' O ' HG23 ' B' ' 8' ' ' VAL . 60.3 mt . . . . . 0 N--CA 1.456 -0.132 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -64.24 -47.26 80.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.952 0.406 . . . . 0.0 110.335 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -66.84 -38.01 85.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.251 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.16 -42.53 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.413 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.659 HG23 ' O ' ' B' ' 4' ' ' LEU . 76.3 t -60.21 -45.21 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.887 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.19 -41.54 88.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.52 96.69 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.02 -42.58 99.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 0.0 110.322 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.15 -44.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.702 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.31 -44.18 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.953 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -61.06 -46.91 88.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.822 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -59.85 -44.71 93.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.02 -42.32 99.67 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -62.81 -43.46 98.74 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -48.83 79.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.838 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.87 -45.18 95.55 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.45 -44.87 80.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.2 -42.09 98.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.649 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.59 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -56.63 -48.73 76.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.432 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 20.6 m-85 -59.84 -40.16 87.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.71 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.97 89.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.746 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.6 -42.5 88.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.563 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.475 ' HG ' ' HZ3' ' B' ' 30' ' ' LYS . 56.4 tp -61.5 -45.23 95.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.344 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.18 -42.02 76.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.13 -41.46 96.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.872 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.69 93.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.66 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.475 ' HZ3' ' HG ' ' B' ' 26' ' ' LEU . 61.4 mttp -61.23 -28.93 69.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.115 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.24 -6.2 58.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.414 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.07 14.8 68.51 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -98.69 78.32 2.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 110.257 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -65.83 -34.45 78.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.615 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.65 -51.53 66.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.033 0.444 . . . . 0.0 110.768 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.71 81.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.416 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.08 77.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.58 -42.91 93.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.576 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.9 90.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.66 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 51.6 mtt -64.49 -41.22 96.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.612 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.556 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.7 mmm -63.58 -41.34 98.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.584 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.06 -46.82 87.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.485 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.71 -41.1 98.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -61.37 -46.55 89.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.446 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.718 ' NH1' HH22 ' B' ' 88' ' ' ARG . 61.9 ttm-85 -60.21 -42.64 95.58 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.296 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.88 -41.99 98.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.279 0.561 . . . . 0.0 110.634 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.98 98.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.121 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 48' ' ' LEU . 90.7 mt -66.61 -38.74 87.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -60.97 -43.36 98.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.282 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.06 -39.43 93.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.165 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.71 74.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.418 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.27 -39.32 89.96 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.283 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 41.2 mt -61.24 -43.88 98.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.297 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.14 -43.4 92.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.027 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.86 -43.07 98.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.231 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m -58.12 -42.68 86.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.964 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.72 -38.21 89.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.547 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.09 -27.08 67.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -90.21 -32.74 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.806 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.549 -179.788 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.803 0.335 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.645 ' O ' HG23 ' B' ' 75' ' ' VAL . 92.5 p -129.7 164.92 22.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.455 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.79 -43.46 98.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.563 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.593 HG13 HG21 ' B' ' 8' ' ' VAL . 64.7 t -63.21 -47.09 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -178.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.96 -40.89 97.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.042 0.449 . . . . 0.0 110.917 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 71' ' ' SER . 67.9 t -59.48 -46.95 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.266 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -59.67 -44.37 93.63 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.302 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.34 89.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.889 0.376 . . . . 0.0 110.485 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -63.36 -41.02 98.81 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.244 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.443 ' O ' HG23 ' B' ' 83' ' ' THR . 42.3 tp -57.53 -46.51 83.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.409 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -67.6 -47.06 70.78 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.72 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.48 -45.17 95.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.906 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.7 -43.18 99.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.216 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.443 HG23 ' O ' ' B' ' 79' ' ' LEU . 18.5 p -63.65 -45.57 89.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.119 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.51 -49.22 76.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.603 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 18.3 ttm -58.01 -48.13 80.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.479 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.51 -44.85 96.33 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.87 82.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.893 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.718 HH22 ' NH1' ' B' ' 45' ' ' ARG . 73.3 ttp85 -58.51 -45.22 89.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.251 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.43 -44.15 97.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.148 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.14 -42.61 96.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.443 . . . . 0.0 109.991 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.59 HD12 ' HB1' ' B' ' 22' ' ' ALA . 78.2 mt -60.57 -41.79 89.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.188 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.556 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 18.3 m -56.65 -45.98 81.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.088 0.471 . . . . 0.0 109.877 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.19 -43.63 97.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.488 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.66 -43.52 93.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.38 -43.34 96.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.555 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -61.21 -38.84 88.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.697 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 97' ' ' LEU . 39.4 mt -62.05 -41.46 98.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.842 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.577 ' CD2' ' NZ ' ' A' ' 100' ' ' LYS . 59.7 m80 -59.81 -39.5 85.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.749 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -62.4 -39.11 92.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.015 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . 0.569 ' NZ ' ' CD2' ' C' ' 98' ' ' HIS . 98.3 mttt -65.03 -39.55 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.19 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.679 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.68 ' O ' HG23 ' C' ' 8' ' ' VAL . 60.4 mt . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 120.62 0.248 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -64.55 -46.97 80.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 110.388 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -66.94 -38.12 85.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.315 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.07 -42.44 96.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.68 HG23 ' O ' ' C' ' 4' ' ' LEU . 76.9 t -60.31 -45.53 96.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.98 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -58.9 -41.48 87.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.93 -42.78 96.72 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.7 -42.56 99.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 110.338 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.93 -44.35 99.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.697 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.24 -44.19 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.011 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -61.12 -46.93 88.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.86 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -59.74 -44.82 93.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.154 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.71 -42.82 99.63 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.83 -43.06 99.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.87 79.63 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -60.92 -45.35 95.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -56.49 -44.78 80.98 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.96 -41.98 98.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.703 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.564 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -56.99 -48.75 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -59.71 -39.94 86.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.529 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.95 90.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.4 88.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.635 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.51 -45.46 94.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.431 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.1 -41.8 75.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.32 -41.48 97.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.93 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.75 92.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.867 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -61.59 -28.63 69.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.052 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -81.15 -6.04 58.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.95 14.78 68.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.6 78.01 2.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 0.0 110.289 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -65.55 -34.57 78.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.525 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.95 -51.45 66.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.071 0.463 . . . . 0.0 110.702 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.74 81.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.327 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.69 78.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.457 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.6 -42.98 93.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.517 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.92 89.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.753 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 51.7 mtt -64.57 -41.26 96.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.555 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 98.8 mmm -63.54 -41.57 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.567 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -61.82 -47.37 85.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.406 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.97 -41.48 99.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.259 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.22 -46.14 91.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.728 ' NH1' HH22 ' C' ' 88' ' ' ARG . 61.8 ttm-85 -60.64 -42.56 97.16 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.35 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.83 -42.41 99.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.352 0.596 . . . . 0.0 110.591 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.65 98.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.271 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 48' ' ' LEU . 90.7 mt -65.9 -39.4 90.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.726 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -60.63 -43.49 97.45 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.377 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.68 -39.59 93.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.013 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.82 -45.63 74.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.438 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.686 ' CD2' HD22 ' D' ' 312' ' ' ASN . 84.5 t60 -61.26 -39.1 89.09 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.324 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.62 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.276 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.92 -43.55 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.029 0.442 . . . . 0.0 110.01 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -60.96 -43.13 99.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.309 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.756 HG21 HG22 ' D' ' 356' ' ' THR . 17.7 m -57.74 -42.84 84.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.154 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.71 -38.12 89.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.507 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.96 -27.09 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.835 -179.808 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.65 ' O ' HG23 ' C' ' 75' ' ' VAL . 91.7 p . . . . . 0 C--O 1.226 -0.136 0 CA-C-O 121.085 0.469 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' C' ' 72' ' ' LEU . 79.9 mt -62.35 -42.83 99.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.669 -177.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.586 HG13 HG21 ' C' ' 8' ' ' VAL . 59.8 t -64.38 -47.26 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 130.05 3.34 . . . . 0.0 110.647 -178.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.23 -40.6 90.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.65 HG23 ' O ' ' C' ' 71' ' ' SER . 70.3 t -59.74 -47.43 91.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.212 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.82 -44.29 94.1 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.303 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.4 89.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.796 0.331 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.13 -41.3 99.29 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.429 ' O ' HG23 ' C' ' 83' ' ' THR . 42.6 tp -57.19 -46.7 82.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.584 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -67.5 -46.98 71.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.768 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.41 -45.58 93.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.795 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -61.39 -42.88 99.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.341 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.429 HG23 ' O ' ' C' ' 79' ' ' LEU . 18.8 p -64.23 -45.1 89.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.213 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -62.99 -48.53 78.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 18.3 ttm -58.44 -48.04 82.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.471 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.6 -44.81 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.169 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.88 82.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.928 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.728 HH22 ' NH1' ' C' ' 45' ' ' ARG . 73.1 ttp85 -58.57 -45.01 89.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.24 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.48 -44.33 97.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.189 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.0 -42.65 97.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.201 0.525 . . . . 0.0 110.043 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.564 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.1 mt -60.53 -41.71 88.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.374 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.555 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 18.3 m -56.78 -45.77 81.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.08 0.467 . . . . 0.0 109.981 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.47 -43.2 98.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.575 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.03 -43.4 95.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.46 -43.16 96.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.557 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -61.21 -38.76 87.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.797 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 97' ' ' LEU . 39.8 mt -62.02 -41.78 98.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.921 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.569 ' CD2' ' NZ ' ' B' ' 100' ' ' LYS . 60.6 m80 -59.47 -39.86 85.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.801 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.23 -39.03 91.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.096 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.83 -39.92 94.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.205 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.319 179.828 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.524 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 121.893 0.854 . . . . 0.0 108.951 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.79 142.98 36.68 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.479 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.94 156.28 38.59 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.005 -1.059 . . . . 0.0 109.516 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.07 149.25 28.62 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.23 152.24 19.04 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.021 -1.049 . . . . 0.0 108.393 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.81 144.36 19.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.66 136.6 36.96 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 122.178 0.99 . . . . 0.0 110.137 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -85.0 114.32 24.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.86 -4.2 19.48 Favored 'General case' 0 C--N 1.267 -3.016 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.816 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.77 85.64 Favored Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 119.707 -1.871 . . . . 0.0 110.683 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -45.46 -47.64 12.85 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 124.772 3.648 . . . . 0.0 114.163 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.13 27.54 6.57 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 116.062 -2.255 . . . . 0.0 108.815 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.04 -142.08 48.39 Favored Glycine 0 N--CA 1.497 2.732 0 C-N-CA 117.688 -2.196 . . . . 0.0 109.608 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.6 tp -90.08 68.07 7.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.934 -1.333 . . . . 0.0 109.494 -177.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.692 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.3 p80 -58.33 176.91 0.15 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 117.851 -1.54 . . . . 0.0 112.152 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 3.0 p -44.06 -65.44 0.51 Allowed 'General case' 0 N--CA 1.505 2.317 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 -176.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.486 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.3 tmt_? -56.16 -51.11 83.31 Favored Pre-proline 0 N--CA 1.493 1.711 0 C-N-CA 120.185 -0.606 . . . . 0.0 112.457 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.14 -32.2 63.74 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 120.584 0.856 . . . . 0.0 111.543 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.47 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.88 86.86 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.176 -0.953 . . . . 0.0 109.486 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.477 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.94 -39.64 72.53 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -64.0 -39.41 94.05 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 118.024 -1.471 . . . . 0.0 109.476 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.67 -45.35 93.22 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.584 1.183 . . . . 0.0 108.677 -177.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.47 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.3 t -62.68 -42.18 95.11 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.68 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.91 -40.26 96.08 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.308 -0.87 . . . . 0.0 109.779 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.71 80.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.429 -0.794 . . . . 0.0 109.623 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.02 91.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.588 -1.32 . . . . 0.0 109.382 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.3 -16.17 42.98 Favored 'General case' 0 N--CA 1.512 2.632 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.99 -10.48 86.23 Favored Glycine 0 N--CA 1.479 1.512 0 O-C-N 119.926 -1.734 . . . . 0.0 109.34 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.53 143.31 32.89 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.323 -1.693 . . . . 0.0 110.0 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.52 -30.16 59.7 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.154 -0.966 . . . . 0.0 112.303 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.84 158.57 10.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 119.826 -1.796 . . . . 0.0 112.789 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.26 35.44 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 102.853 -3.018 . . . . 0.0 102.853 171.265 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.77 136.63 60.26 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 CA-C-O 122.216 1.007 . . . . 0.0 109.258 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.97 143.22 51.0 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-O 123.1 1.429 . . . . 0.0 109.984 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.08 129.98 61.37 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.731 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 173.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.9 m -127.47 119.55 26.34 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.887 -1.133 . . . . 0.0 108.979 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.52 122.73 39.6 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.525 -0.734 . . . . 0.0 109.907 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.64 39.01 24.16 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.879 -1.138 . . . . 0.0 112.764 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 10.99 83.6 Favored Glycine 0 N--CA 1.502 3.044 0 O-C-N 119.956 -1.715 . . . . 0.0 112.533 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.82 136.3 54.53 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 177.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.79 158.57 33.02 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.784 1.754 . . . . 0.0 112.458 -176.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.37 31.32 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 112.49 -2.141 . . . . 0.0 108.572 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.6 136.02 48.88 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.73 47.45 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.705 -1.247 . . . . 0.0 110.735 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.63 12.99 31.71 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.651 -1.281 . . . . 0.0 109.364 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.1 t -133.06 104.15 6.38 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.241 1.019 . . . . 0.0 110.167 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.9 tp -57.21 -37.91 72.91 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.952 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -58.9 -51.36 70.36 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.618 -1.301 . . . . 0.0 113.039 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.11 -32.37 70.37 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.512 -1.992 . . . . 0.0 109.254 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.8 -33.78 75.91 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.989 -177.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -67.59 -10.48 52.35 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.697 -0.627 . . . . 0.0 109.96 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.7 p -89.87 -7.63 53.79 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 118.124 -1.43 . . . . 0.0 110.849 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.43 159.32 15.3 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.185 -0.947 . . . . 0.0 110.157 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.85 2.97 Favored Glycine 0 N--CA 1.484 1.865 0 N-CA-C 106.923 -2.471 . . . . 0.0 106.923 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.64 47.39 1.73 Allowed 'General case' 0 C--N 1.309 -1.163 0 O-C-N 120.694 -1.474 . . . . 0.0 107.431 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 68.8 p -81.42 172.57 13.38 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.758 -1.177 . . . . 0.0 109.305 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.68 140.92 57.3 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.844 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.38 -3.1 79.08 Favored Glycine 0 N--CA 1.501 3.014 0 C-N-CA 120.007 -1.092 . . . . 0.0 111.329 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.5 135.93 34.03 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.924 -1.339 . . . . 0.0 110.597 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.8 t -96.56 123.68 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.1 160.08 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.417 -1.713 . . . . 0.0 110.602 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.7 m -108.91 128.38 54.87 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.491 -1.38 . . . . 0.0 107.631 175.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.88 121.41 60.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.25 50.72 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -179.579 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.38 47.18 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.696 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.524 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.83 6.45 Favored 'General case' 0 C--N 1.288 -2.076 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.013 178.133 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.23 40.14 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 118.014 -2.041 . . . . 0.0 110.353 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.45 -40.62 83.1 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.361 -0.92 . . . . 0.0 112.155 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.07 36.84 3.53 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 115.895 -2.322 . . . . 0.0 108.586 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.43 -33.48 65.88 Favored 'General case' 0 N--CA 1.521 3.12 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 -174.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.43 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.6 27.28 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 119.545 -1.972 . . . . 0.0 110.982 -176.569 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.841 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.73 97.8 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.52 77.56 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 117.481 -1.688 . . . . 0.0 110.001 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 65.9 t -66.88 -42.17 88.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.234 1.016 . . . . 0.0 109.268 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.94 -47.86 76.81 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 122.1 0.953 . . . . 0.0 108.783 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.841 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.85 -38.22 76.4 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.747 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.3 mt -75.65 -28.61 58.81 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.372 -1.455 . . . . 0.0 110.899 -174.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.31 62.73 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.2 -45.15 84.04 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 118.987 -1.085 . . . . 0.0 110.605 177.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.41 -37.38 85.56 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.835 -1.166 . . . . 0.0 111.521 -177.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.86 61.67 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.155 -0.965 . . . . 0.0 110.28 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.8 -32.33 46.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.554 -0.716 . . . . 0.0 111.401 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.97 125.43 12.01 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.31 2.005 . . . . 0.0 112.879 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.816 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.1 tt0 . . . . . 0 C--N 1.278 -2.532 0 CA-C-N 111.141 -2.754 . . . . 0.0 110.097 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.644 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.0 mt . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.52 -47.36 79.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.919 0.39 . . . . 0.0 110.315 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.06 -36.57 82.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.231 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.41 HG11 HD11 ' A' ' 58' ' ' LEU . 71.2 t -64.07 -42.01 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.365 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 4' ' ' LEU . 75.4 t -60.37 -45.12 97.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.952 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -58.83 -41.15 86.2 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.54 97.41 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.96 -43.51 98.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.212 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.08 -44.23 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.843 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.477 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.0 mt -63.81 -44.39 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.001 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.436 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 48.6 t-20 -61.74 -46.59 88.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.756 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.421 ' HG ' ' CB ' ' A' ' 84' ' ' SER . 37.1 t -60.1 -44.42 94.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.016 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.05 -42.4 99.61 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.054 -1.219 . . . . 0.0 110.054 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.89 -42.29 97.52 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -49.53 76.99 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.27 -46.22 90.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -54.24 -44.04 71.4 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.5 -42.71 98.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.677 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.53 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -58.64 -49.69 76.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.43 -41.9 90.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.598 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.4 90.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.776 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.3 89.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.702 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.65 -45.5 93.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.483 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.51 -41.57 73.29 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.07 -42.02 97.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.838 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.46 -43.71 93.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.705 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.71 -29.6 69.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.22 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -83.21 -4.94 58.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.458 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.73 16.16 77.97 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.65 81.28 3.49 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.755 0.312 . . . . 0.0 110.312 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -63.65 -34.8 78.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.71 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.982 0.42 . . . . 0.0 110.706 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.84 81.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.87 77.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.627 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -60.32 -43.36 96.44 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.662 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.84 98.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.792 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.3 mtt -65.79 -40.46 91.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.483 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.553 ' CE ' HG23 ' A' ' 92' ' ' THR . 83.6 mtp -61.3 -43.98 97.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.604 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.38 -43.55 98.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.007 0.432 . . . . 0.0 110.534 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.17 -42.86 96.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.25 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.7 -48.05 83.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -59.95 -43.37 95.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.329 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.33 -42.57 98.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.125 0.488 . . . . 0.0 110.524 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.35 96.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.25 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.629 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 90.0 mt -65.21 -39.97 93.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.641 179.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -61.43 -41.81 97.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.249 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -64.61 -39.54 93.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.136 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.544 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -67.02 -45.69 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.462 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.557 ' O ' HG23 ' A' ' 56' ' ' THR . 85.0 t60 -61.17 -39.4 90.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.36 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.478 ' O ' ' OG1' ' A' ' 56' ' ' THR . 41.1 mt -60.41 -43.46 96.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.331 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.58 -42.9 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.065 0.46 . . . . 0.0 110.05 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.418 ' OE1' HD13 ' A' ' 81' ' ' LEU . 42.5 tt0 -59.48 -44.98 92.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.251 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 52' ' ' HIS . 39.9 p -57.51 -40.48 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.068 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.97 -40.9 95.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.504 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.41 HD11 HG11 ' A' ' 7' ' ' VAL . 94.9 mt -65.42 -30.44 71.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.628 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.6 mt -84.98 -32.64 7.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 179.787 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.956 0.408 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.613 ' O ' HG23 ' A' ' 75' ' ' VAL . 77.7 p -130.26 162.35 29.15 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -58.54 -42.85 88.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.61 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.621 HG13 HG21 ' A' ' 8' ' ' VAL . 63.5 t -63.12 -48.2 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.634 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.75 -40.88 98.63 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 71' ' ' SER . 76.8 t -59.86 -47.61 90.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.148 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -58.62 -46.07 87.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.261 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.47 94.11 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.795 0.331 . . . . 0.0 110.681 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.5 -40.24 96.56 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.159 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 83' ' ' THR . 54.3 tp -58.66 -47.13 85.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.413 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -68.44 -48.55 64.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.789 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.544 HD21 ' HB1' ' A' ' 51' ' ' ALA . 14.7 mt -62.13 -45.38 93.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.819 -178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.35 -44.43 97.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.159 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.6 p -62.03 -45.84 91.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.081 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.421 ' CB ' ' HG ' ' A' ' 15' ' ' SER . 72.7 m -62.37 -47.52 83.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.392 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.75 -48.01 82.67 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.64 0.257 . . . . 0.0 110.53 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.56 -44.81 96.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.87 0.367 . . . . 0.0 110.127 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.74 87.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.85 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.629 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 8.8 tmm_? -58.45 -45.55 88.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.078 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.13 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.053 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.72 -42.95 97.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.238 0.542 . . . . 0.0 109.878 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.53 HD12 ' HB1' ' A' ' 22' ' ' ALA . 77.7 mt -60.11 -41.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.304 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.553 HG23 ' CE ' ' A' ' 41' ' ' MET . 67.1 m -57.31 -45.81 83.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.007 0.432 . . . . 0.0 109.883 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.61 -43.68 96.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.538 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.548 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 88.2 mt -59.67 -43.11 94.09 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.32 -42.86 95.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.594 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.16 -40.78 91.1 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 97' ' ' LEU . 88.3 mt -63.17 -42.31 99.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.908 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.548 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.3 m80 -59.21 -41.99 89.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -61.46 -40.88 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.171 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -65.64 -37.58 86.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.219 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 179.849 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.63 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.1 mt . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.61 0.243 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.69 -46.93 80.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.882 0.372 . . . . 0.0 110.329 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.33 -36.4 81.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.169 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.3 -42.07 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.63 HG23 ' O ' ' B' ' 4' ' ' LEU . 76.3 t -60.16 -44.99 96.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.91 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.03 -41.57 88.11 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.46 -41.72 97.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.74 -43.56 98.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.757 0.313 . . . . 0.0 110.34 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.31 -44.04 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.664 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.85 -44.61 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.918 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 49.6 t-20 -61.64 -46.74 88.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.833 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.3 t -59.91 -44.58 94.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.135 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.76 -42.44 99.69 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.8 -42.4 97.72 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -49.56 76.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.888 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.38 -45.97 91.64 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -54.51 -44.0 72.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.43 -42.92 98.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.72 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -58.6 -49.71 76.46 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.3 -42.0 90.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.677 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.62 90.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.715 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.48 89.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.635 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.32 -45.66 93.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.321 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.59 -41.48 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.551 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.16 -41.97 97.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.903 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.65 93.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.706 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.73 -30.0 69.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.01 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -83.08 -4.93 58.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.32 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.9 16.11 77.74 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.55 81.5 3.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.32 . . . . 0.0 110.303 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -64.07 -34.49 78.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -47.8 82.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 110.793 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.43 -35.77 81.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.44 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.96 77.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.509 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.18 -43.31 95.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.573 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.87 98.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.724 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 60.6 mtt -65.93 -40.41 91.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.464 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.595 ' HE1' HG23 ' B' ' 92' ' ' THR . 83.3 mtp -61.26 -44.06 97.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.603 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.41 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.24 -43.15 95.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.306 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -60.54 -47.83 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.541 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -60.27 -43.21 96.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.343 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.2 mmm -61.19 -42.48 98.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.309 0.576 . . . . 0.0 110.665 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.61 95.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.179 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.625 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 89.4 mt -64.97 -40.25 94.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.77 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.0 -41.96 97.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.36 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.71 -39.46 93.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.132 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.533 ' HB1' HD21 ' B' ' 81' ' ' LEU . . . -66.89 -45.88 76.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.444 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . 0.564 ' O ' HG23 ' B' ' 56' ' ' THR . 85.2 t60 -61.14 -39.18 89.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.332 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.481 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.7 mt -60.68 -43.23 97.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.314 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.7 -43.09 93.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.034 0.445 . . . . 0.0 110.022 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.414 ' OE1' HD13 ' B' ' 81' ' ' LEU . 42.1 tt0 -59.38 -44.82 92.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.209 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 52' ' ' HIS . 40.2 p -57.63 -40.83 80.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.005 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.72 -41.16 96.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.858 0.361 . . . . 0.0 110.514 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.77 -31.26 72.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.709 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 84.3 mt -84.36 -32.74 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.769 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.544 -179.896 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.462 0.13 0 CA-C-O 120.859 0.362 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.609 ' O ' HG23 ' B' ' 75' ' ' VAL . 57.8 p -129.34 164.1 24.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 -178.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.78 -42.93 98.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.551 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.618 HG13 HG21 ' B' ' 8' ' ' VAL . 57.5 t -61.92 -47.23 94.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.601 -178.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.51 -40.45 97.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.083 0.468 . . . . 0.0 110.964 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 71' ' ' SER . 71.6 t -60.02 -47.26 92.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.251 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -59.33 -45.96 89.92 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.264 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.76 94.48 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.896 0.379 . . . . 0.0 110.4 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -63.3 -40.76 98.24 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.171 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.548 ' O ' HG23 ' B' ' 83' ' ' THR . 53.0 tp -58.36 -46.75 85.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.39 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -68.85 -48.59 63.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.739 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.533 HD21 ' HB1' ' B' ' 51' ' ' ALA . 15.1 mt -62.06 -45.24 94.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -178.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.36 -44.35 97.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.194 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.548 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.6 p -62.21 -45.61 92.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.156 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 72.4 m -62.3 -47.96 81.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 64.9 ttp -58.38 -48.16 81.53 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.459 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.51 -44.85 96.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.121 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.3 88.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.843 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.625 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 8.8 tmm_? -59.0 -45.35 90.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.266 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.08 -43.51 98.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.189 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.8 -42.79 97.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.056 0.455 . . . . 0.0 110.025 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.493 HD12 ' HB1' ' B' ' 22' ' ' ALA . 74.7 mt -59.91 -41.82 87.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.207 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.595 HG23 ' HE1' ' B' ' 41' ' ' MET . 70.8 m -56.8 -45.86 81.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.058 0.456 . . . . 0.0 109.887 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.38 -44.09 95.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.493 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.529 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 88.7 mt -59.32 -43.43 92.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.11 -43.04 95.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.543 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -59.78 -41.05 90.28 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.02 -42.72 99.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.792 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 65.0 m80 -58.77 -41.89 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.51 -41.06 96.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.114 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -65.57 -37.81 87.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.22 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 37.1 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.425 179.791 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.654 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.6 mt . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.615 0.245 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.66 -47.13 79.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 0.0 110.425 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.04 -36.93 83.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.314 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.48 -42.3 95.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.355 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.654 HG23 ' O ' ' C' ' 4' ' ' LEU . 76.1 t -60.34 -44.92 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.972 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.2 mtp -59.03 -41.49 87.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.55 -41.69 97.77 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.69 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.396 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.27 -44.07 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.753 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.76 -44.49 98.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.065 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.443 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 49.4 t-20 -61.71 -46.79 88.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.736 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.7 t -59.88 -44.25 94.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.17 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -42.6 99.39 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -63.68 -42.15 98.07 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.26 -49.77 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.42 -46.15 91.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.4 m -54.44 -44.14 72.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.16 -42.71 99.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.673 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.511 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -58.88 -49.74 76.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.35 -41.96 90.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.541 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.63 -41.47 90.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.695 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.0 88.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.607 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.03 -45.36 93.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.427 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.7 -41.55 73.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.14 -41.89 97.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.868 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.56 -43.37 93.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.774 179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.16 -29.57 69.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.088 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -83.18 -5.08 59.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.428 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.14 16.21 77.08 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.07 81.42 3.37 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.877 0.37 . . . . 0.0 110.256 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.84 -34.69 78.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -47.94 81.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.048 0.451 . . . . 0.0 110.72 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.99 81.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.365 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.7 -49.12 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.493 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -60.01 -43.42 95.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.541 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.08 97.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.728 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 59.9 mtt -65.54 -40.69 93.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.563 ' CE ' HG23 ' C' ' 92' ' ' THR . 84.0 mtp -61.19 -44.07 97.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.628 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.44 -43.62 98.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.456 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.88 -43.05 97.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.4 m -60.76 -47.58 85.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.548 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -60.27 -43.29 96.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.405 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.3 -42.61 98.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.366 0.603 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.85 97.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.315 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.618 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 90.1 mt -64.98 -40.65 95.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.769 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -60.81 -41.68 96.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.354 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.55 -39.97 94.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.995 0.426 . . . . 0.0 110.011 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.541 ' HB1' HD21 ' C' ' 81' ' ' LEU . . . -66.67 -46.33 76.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.351 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.57 ' O ' HG23 ' C' ' 56' ' ' THR . 85.1 t60 -60.51 -39.2 86.92 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.359 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' C' ' 56' ' ' THR . 39.9 mt -60.91 -43.05 99.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.297 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.81 -42.96 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.062 0.458 . . . . 0.0 110.011 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.423 ' OE1' HD13 ' C' ' 81' ' ' LEU . 42.3 tt0 -59.55 -44.91 93.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.217 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.57 HG23 ' O ' ' C' ' 52' ' ' HIS . 40.6 p -57.48 -40.47 78.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.131 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.08 -41.08 95.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 0.0 110.435 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' C' ' 58' ' ' LEU . 95.3 mt -64.94 -30.91 71.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.795 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 83.0 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.796 -179.863 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.607 ' O ' HG23 ' C' ' 75' ' ' VAL . 54.0 p . . . . . 0 C--O 1.226 -0.146 0 CA-C-O 121.069 0.461 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.41 -42.19 99.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.622 -177.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.57 HG13 HG21 ' C' ' 8' ' ' VAL . 53.8 t -63.22 -47.5 91.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 130.151 3.381 . . . . 0.0 110.593 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.54 -40.34 92.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.081 0.467 . . . . 0.0 110.99 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.607 HG23 ' O ' ' C' ' 71' ' ' SER . 74.2 t -60.3 -47.54 91.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.22 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.35 -46.05 89.7 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.32 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.84 94.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.896 0.379 . . . . 0.0 110.414 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.15 -40.64 98.17 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.331 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.56 ' O ' HG23 ' C' ' 83' ' ' THR . 51.4 tp -58.26 -47.15 84.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.485 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -68.56 -48.88 63.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.734 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . 0.541 HD21 ' HB1' ' C' ' 51' ' ' ALA . 15.0 mt -61.73 -45.2 94.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.837 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.41 -44.47 97.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.335 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.56 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.8 p -62.11 -45.73 92.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.204 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 72.8 m -62.2 -47.86 82.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.539 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.39 -48.12 81.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.687 0.279 . . . . 0.0 110.488 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.57 -44.74 96.46 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.195 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.8 -46.35 87.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.968 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.618 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 8.8 tmm_? -59.11 -45.15 91.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.287 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.22 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.156 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.08 -42.57 96.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.193 0.52 . . . . 0.0 109.973 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.511 HD12 ' HB1' ' C' ' 22' ' ' ALA . 75.9 mt -60.28 -41.36 86.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.353 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.563 HG23 ' CE ' ' C' ' 41' ' ' MET . 75.4 m -56.9 -45.71 82.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.102 0.477 . . . . 0.0 109.963 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.93 -43.77 94.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.456 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.569 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 89.3 mt -59.41 -43.07 93.08 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.62 -42.7 95.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.613 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -59.96 -40.93 90.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.147 0.499 . . . . 0.0 109.74 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.05 -42.55 99.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.863 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 65.4 m80 -58.99 -41.89 88.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.733 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -61.6 -40.82 96.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.124 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.67 -37.59 86.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.224 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 36.6 mt . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.344 179.921 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.529 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 121.859 0.838 . . . . 0.0 108.925 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.8 143.0 36.65 Favored 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.35 38.68 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.007 -1.058 . . . . 0.0 109.556 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.13 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 152.38 18.9 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.114 -0.991 . . . . 0.0 108.41 178.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.9 144.28 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.65 136.62 36.92 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-O 122.132 0.967 . . . . 0.0 110.125 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.98 114.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.82 -4.34 19.39 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.813 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.47 141.86 85.94 Favored Pre-proline 0 N--CA 1.499 2.015 0 O-C-N 119.692 -1.88 . . . . 0.0 110.619 178.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.5 -47.68 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.747 3.631 . . . . 0.0 114.174 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.487 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.4 m-20 -102.16 27.62 6.51 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 116.038 -2.265 . . . . 0.0 108.743 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 58.9 -146.74 41.98 Favored Glycine 0 N--CA 1.496 2.694 0 C-N-CA 117.719 -2.182 . . . . 0.0 109.613 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.6 tp -87.43 79.56 8.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.902 -1.352 . . . . 0.0 109.517 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.417 ' CE1' ' H ' ' D' ' 317' ' ' ARG . 2.5 p80 -76.25 177.25 7.38 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 117.883 -1.527 . . . . 0.0 112.159 -178.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 6.6 p -36.14 -69.06 0.11 Allowed 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.498 ' N ' ' OG1' ' D' ' 316' ' ' THR . 7.3 tmm_? -56.18 -52.79 70.1 Favored Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 120.127 -0.629 . . . . 0.0 112.514 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.42 -32.26 60.64 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 120.768 0.979 . . . . 0.0 111.486 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.506 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.75 86.68 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.585 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.525 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.91 -39.78 72.52 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -63.89 -39.41 94.12 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 117.924 -1.511 . . . . 0.0 109.543 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.442 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.61 -45.32 93.43 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 122.674 1.226 . . . . 0.0 108.762 -177.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.617 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 67.3 t -62.67 -42.22 95.25 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.223 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.633 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.538 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.4 mttt -63.98 -40.18 95.81 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.217 -0.927 . . . . 0.0 109.764 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.73 -39.73 80.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.432 -0.793 . . . . 0.0 109.624 177.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.0 91.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.649 -1.282 . . . . 0.0 109.468 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . 0.617 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.3 mttp -61.3 -16.28 44.03 Favored 'General case' 0 N--CA 1.511 2.599 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.84 -10.61 86.01 Favored Glycine 0 N--CA 1.48 1.605 0 O-C-N 119.948 -1.72 . . . . 0.0 109.308 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.3 32.89 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.3 -1.706 . . . . 0.0 109.977 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.4 p -75.49 -30.17 59.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.171 -0.955 . . . . 0.0 112.352 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.57 10.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 119.837 -1.789 . . . . 0.0 112.871 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.22 35.35 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 102.796 -3.039 . . . . 0.0 102.796 171.301 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.432 0 O-C-N 121.082 -1.011 . . . . 0.0 109.351 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -124.92 143.18 51.0 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-O 123.105 1.431 . . . . 0.0 110.014 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.7 t -108.07 130.0 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.9 m -127.49 119.51 26.23 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.867 -1.146 . . . . 0.0 108.977 -178.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.48 122.62 39.37 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.533 -0.729 . . . . 0.0 109.931 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 38.91 24.19 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.843 -1.161 . . . . 0.0 112.766 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.11 83.44 Favored Glycine 0 N--CA 1.503 3.117 0 O-C-N 119.998 -1.688 . . . . 0.0 112.512 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.9 136.22 54.59 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 177.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.77 158.56 33.01 Favored 'General case' 0 C--N 1.276 -2.629 0 CA-C-O 123.837 1.779 . . . . 0.0 112.375 -175.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.37 31.33 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 112.466 -2.152 . . . . 0.0 108.572 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.64 135.94 48.75 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 173.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.446 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.89 -6.82 47.67 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.794 -1.191 . . . . 0.0 110.73 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.5 13.01 31.39 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.69 -1.257 . . . . 0.0 109.359 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.4 t -133.13 104.16 6.37 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 122.163 0.982 . . . . 0.0 110.116 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . 0.424 HD22 ' CE ' ' A' ' 9' ' ' MET . 58.3 tp -57.17 -37.96 72.89 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.98 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -58.92 -51.29 70.68 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.594 -1.316 . . . . 0.0 113.07 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.49 70.65 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 119.599 -1.938 . . . . 0.0 109.162 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.81 75.92 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.924 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . 0.432 HE21 HG22 ' C' ' 59' ' ' ILE . 68.7 tp60 -67.61 -10.47 52.34 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.676 -0.64 . . . . 0.0 109.967 -177.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.0 p -89.79 -7.72 53.77 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 118.105 -1.438 . . . . 0.0 110.911 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.39 159.32 15.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.24 -0.912 . . . . 0.0 110.111 -178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.9 2.97 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 106.878 -2.489 . . . . 0.0 106.878 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.1 mt -119.69 47.39 1.73 Allowed 'General case' 0 C--N 1.308 -1.207 0 O-C-N 120.678 -1.483 . . . . 0.0 107.393 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 34.7 p -81.48 172.51 13.42 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.786 -1.166 . . . . 0.0 109.231 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.68 140.9 57.31 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.855 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.47 -3.21 78.85 Favored Glycine 0 N--CA 1.501 2.996 0 C-N-CA 120.034 -1.079 . . . . 0.0 111.294 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.44 135.91 34.06 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.9 -1.353 . . . . 0.0 110.61 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.47 123.75 48.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.7 m -112.21 160.11 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.297 0 C-N-CA 117.413 -1.715 . . . . 0.0 110.684 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.88 128.4 54.89 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.541 -1.349 . . . . 0.0 107.549 175.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.88 121.28 60.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.29 50.69 Favored 'General case' 0 C--N 1.285 -2.223 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.555 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.45 47.17 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 118.467 -1.293 . . . . 0.0 109.732 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.23 110.77 6.41 Favored 'General case' 0 C--N 1.287 -2.122 0 C-N-CA 118.591 -1.243 . . . . 0.0 108.038 178.17 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.3 40.16 Favored Glycine 0 C--N 1.297 -1.637 0 C-N-CA 117.952 -2.07 . . . . 0.0 110.3 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.38 -40.62 82.83 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.3 -0.95 . . . . 0.0 112.153 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 115.883 -2.327 . . . . 0.0 108.542 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.58 65.88 Favored 'General case' 0 N--CA 1.521 3.08 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -174.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.44 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.64 27.5 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 119.544 -1.973 . . . . 0.0 110.944 -176.543 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.778 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.65 97.51 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.55 77.43 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 117.459 -1.696 . . . . 0.0 110.014 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.4 t -66.83 -42.14 88.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-O 122.202 1.001 . . . . 0.0 109.26 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.97 -47.83 76.94 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 122.046 0.927 . . . . 0.0 108.725 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.778 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.78 -38.35 76.68 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.729 -178.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.2 mt -75.62 -28.57 58.89 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.475 -1.39 . . . . 0.0 110.842 -174.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.46 70.75 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.427 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.99 -49.23 62.86 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.22 -45.22 84.06 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 119.06 -1.056 . . . . 0.0 110.579 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.36 -37.38 85.47 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.943 -1.098 . . . . 0.0 111.545 -177.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.96 -31.79 61.55 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.135 -0.978 . . . . 0.0 110.228 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.91 -32.27 45.63 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.503 -0.748 . . . . 0.0 111.335 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.04 125.44 12.14 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 124.238 1.97 . . . . 0.0 112.888 178.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.813 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.9 tt0 . . . . . 0 C--N 1.277 -2.556 0 CA-C-N 111.158 -2.746 . . . . 0.0 110.106 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.629 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.4 mt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.497 0.189 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.81 -47.4 78.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.939 0.4 . . . . 0.0 110.313 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.81 -36.68 82.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.292 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.84 -42.37 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.367 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.681 HG21 HG13 ' A' ' 73' ' ' VAL . 79.2 t -60.41 -44.68 96.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.015 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.424 ' CE ' HD22 ' D' ' 347' ' ' LEU . 92.0 mtp -59.33 -42.1 90.67 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.89 -41.95 97.18 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.45 -42.88 98.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.21 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.9 -44.27 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.765 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.538 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 89.7 mt -63.3 -43.7 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.97 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -61.65 -46.06 91.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.813 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -60.38 -44.78 95.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.002 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.33 99.3 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -63.81 -44.67 92.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.401 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.14 -49.41 77.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.892 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.45 -45.9 91.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -55.1 -43.84 74.36 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.12 -41.45 98.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.648 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.88 -48.44 79.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -60.35 -40.96 92.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.615 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.97 92.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.7 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.92 -42.59 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.653 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.43 -44.66 96.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.518 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -55.65 -42.57 75.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.12 -42.03 98.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.775 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.23 95.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.725 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.5 -29.07 69.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.101 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -79.66 -4.32 51.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.4 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 12.83 75.74 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -96.68 80.47 3.08 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.74 0.305 . . . . 0.0 110.29 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -65.12 -34.6 78.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.659 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.2 -48.41 80.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.064 0.459 . . . . 0.0 110.757 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.57 80.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.354 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.53 78.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.585 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.29 -42.39 98.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.596 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.63 98.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.774 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.72 -42.64 90.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.474 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.566 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.1 mtm -64.15 -41.0 97.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.681 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -61.58 -47.28 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.01 0.433 . . . . 0.0 110.605 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.7 -40.68 97.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.233 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.83 -46.46 89.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.68 -42.94 98.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.35 -42.59 98.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.231 0.538 . . . . 0.0 110.604 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.69 97.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.216 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.622 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 95.0 mt -65.51 -40.37 92.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.691 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.409 HD22 ' HA ' ' A' ' 49' ' ' ASN . 7.8 m120 -61.03 -41.69 97.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.345 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.79 -39.5 93.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.173 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.92 -44.16 77.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.409 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.605 ' O ' HG23 ' A' ' 56' ' ' THR . 60.1 t-80 -62.11 -38.72 89.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.368 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.515 ' O ' ' OG1' ' A' ' 56' ' ' THR . 40.9 mt -61.02 -43.69 98.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.348 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.02 -43.36 92.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 110.0 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -60.6 -43.93 96.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.264 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 52' ' ' HIS . 32.8 p -57.23 -41.53 79.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.002 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.01 -38.63 91.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.909 0.385 . . . . 0.0 110.574 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.63 -28.9 69.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.631 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.63 HD11 HE21 ' A' ' 78' ' ' GLN . 76.8 mt -89.91 -33.77 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.862 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.534 -179.753 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.462 0.129 0 CA-C-O 120.992 0.425 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 75' ' ' VAL . 85.0 p -136.43 172.09 13.52 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.588 HD22 HD11 ' B' ' 72' ' ' LEU . 4.2 mm? -57.61 -45.91 84.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.617 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.681 HG13 HG21 ' A' ' 8' ' ' VAL . 71.4 t -64.29 -47.66 88.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.888 0.375 . . . . 0.0 110.619 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.49 -41.67 98.56 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -178.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 71' ' ' SER . 54.7 t -59.3 -47.93 88.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.221 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -58.95 -45.27 90.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.17 94.27 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.78 0.324 . . . . 0.0 110.673 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.63 HE21 HD11 ' A' ' 59' ' ' ILE . 85.3 mt-30 -63.39 -41.3 98.76 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.153 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 83' ' ' THR . 54.7 tp -57.31 -46.73 82.91 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.365 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -67.31 -46.71 72.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.743 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.42 -45.91 92.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.836 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.3 mmm -62.19 -43.87 97.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.141 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.5 p -64.08 -47.36 80.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -62.16 -48.8 78.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.476 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.95 -47.47 82.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.529 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.03 -45.93 91.4 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.125 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.7 80.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.849 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.622 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 7.7 tmm_? -57.86 -45.54 86.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.147 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' B' ' 23' ' ' TYR . 83.8 tt0 -61.8 -43.5 98.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.142 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.84 -42.51 97.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 109.823 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.451 HD12 ' HB1' ' A' ' 22' ' ' ALA . 75.8 mt -59.74 -41.7 86.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.274 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.9 m -58.32 -45.17 88.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.41 -43.86 97.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.583 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 91.5 mt -58.93 -43.16 91.11 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.566 HD12 ' SD ' ' A' ' 41' ' ' MET . 92.0 mt -61.64 -42.42 94.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.495 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.39 -40.59 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.1 0.476 . . . . 0.0 109.741 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.52 -41.66 97.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.904 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 65.9 m80 -59.92 -38.84 83.52 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -63.19 -39.4 94.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.236 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.22 -39.47 92.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.178 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.8 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.629 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.2 mt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.543 0.211 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -47.34 78.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 110.31 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.0 -36.56 82.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.193 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.61 -42.72 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.646 HG21 HG13 ' B' ' 73' ' ' VAL . 77.2 t -60.26 -45.01 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.829 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.8 mtp -59.15 -41.83 89.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.22 -42.15 96.47 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.12 -42.68 99.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.768 0.318 . . . . 0.0 110.339 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.4 -44.4 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.599 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.72 -44.34 99.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.863 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' B' ' 14' ' ' ASN . 52.3 t-20 -61.35 -46.06 91.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.806 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -60.33 -44.61 95.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.056 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.39 -41.85 99.28 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -64.29 -44.75 90.69 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.421 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.93 -49.53 76.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.915 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.39 -45.84 92.1 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 70.1 m -55.24 -43.72 74.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.13 -41.5 98.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.796 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.46 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.66 -48.69 78.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 24.0 m-85 -60.25 -40.48 90.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.717 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.29 94.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.711 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.36 84.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.68 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.7 -44.82 96.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.338 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -55.68 -42.29 74.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.25 -42.08 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.843 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.11 96.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.705 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.51 -28.89 69.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.079 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.0 -4.23 51.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.376 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.01 12.84 76.01 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.65 80.29 3.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.842 0.354 . . . . 0.0 110.294 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -65.19 -34.39 78.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.81 78.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 110.812 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.45 80.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.449 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.83 77.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.564 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -60.72 -42.88 98.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.8 99.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.7 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.75 -42.34 91.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.53 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.576 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.4 mtm -64.43 -41.06 96.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.62 -47.38 85.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.462 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -62.51 -40.86 98.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.315 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' B' ' 41' ' ' MET . 77.7 p -61.77 -46.62 88.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.488 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.48 -42.77 96.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.309 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.52 -42.71 99.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.285 0.565 . . . . 0.0 110.608 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.44 97.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.161 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.616 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 95.2 mt -65.93 -40.47 91.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.7 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -60.81 -41.53 95.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.329 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.13 -39.69 93.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.106 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.59 -44.23 78.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.454 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . 0.607 ' O ' HG23 ' B' ' 56' ' ' THR . 60.2 t-80 -62.29 -38.65 90.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.281 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.506 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.9 mt -61.02 -43.73 98.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.372 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.07 -43.28 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 0.0 110.035 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.71 -44.03 97.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.243 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.607 HG23 ' O ' ' B' ' 52' ' ' HIS . 32.3 p -57.1 -41.46 78.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.969 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.08 -38.6 91.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.922 0.391 . . . . 0.0 110.587 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -65.71 -28.73 69.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.689 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.628 HD11 HE21 ' B' ' 78' ' ' GLN . 76.2 mt -89.83 -33.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.576 -179.627 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.402 ' O ' HG13 ' B' ' 70' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.462 0.159 0 CA-C-O 120.858 0.361 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.624 ' O ' HG23 ' B' ' 75' ' ' VAL . 97.7 p -136.38 172.82 12.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.547 -178.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.59 HD22 HD11 ' C' ' 72' ' ' LEU . 4.0 mm? -58.81 -46.04 88.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.566 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.646 HG13 HG21 ' B' ' 8' ' ' VAL . 64.4 t -63.59 -46.58 94.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.643 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.35 -41.0 96.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.996 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 71' ' ' SER . 54.6 t -59.5 -47.7 89.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.312 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.28 -45.59 90.84 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.275 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.19 95.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.87 0.366 . . . . 0.0 110.424 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.628 HE21 HD11 ' B' ' 59' ' ' ILE . 85.3 mt-30 -63.52 -41.37 98.5 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.286 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.462 ' O ' HG23 ' B' ' 83' ' ' THR . 53.9 tp -57.16 -46.54 82.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.397 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -67.57 -46.65 72.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.761 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.65 -45.32 94.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.9 mmm -62.75 -43.32 99.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.262 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.462 HG23 ' O ' ' B' ' 79' ' ' LEU . 19.9 p -64.61 -47.41 78.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.129 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.2 -48.23 80.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.597 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.19 -47.86 82.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.522 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.79 -45.81 92.24 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.2 82.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.932 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.616 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 7.8 tmm_? -58.53 -45.17 89.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.278 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.475 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 83.7 tt0 -62.01 -43.67 98.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.146 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.8 -42.24 97.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 110.056 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.46 HD12 ' HB1' ' B' ' 22' ' ' ALA . 75.8 mt -59.85 -41.93 87.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.167 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.4 m -57.9 -45.49 86.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.087 0.47 . . . . 0.0 109.846 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.31 -43.98 97.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.466 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.543 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 90.9 mt -58.71 -42.95 89.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.576 HD12 ' SD ' ' B' ' 41' ' ' MET . 91.6 mt -61.87 -42.66 95.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.515 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.11 -40.53 94.1 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.58 -41.83 97.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.832 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.2 m80 -59.74 -38.63 82.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.748 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -63.45 -39.58 94.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.14 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.18 -39.1 92.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.183 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' B' ' 101' ' ' LEU . 42.7 mt . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.397 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.629 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.9 mt . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.609 0.242 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.84 -47.41 78.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.379 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.75 -36.5 82.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.383 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.8 -42.63 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.631 HG21 HG13 ' C' ' 73' ' ' VAL . 79.7 t -60.24 -44.9 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.029 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.3 -41.95 90.19 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.35 96.78 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 11' ' ' LEU . 83.2 mt -62.84 -42.8 99.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.381 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.12 -44.17 99.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.619 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.12 -44.23 99.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.99 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' C' ' 14' ' ' ASN . 52.0 t-20 -61.19 -46.52 90.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.852 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.6 t -60.02 -44.7 94.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.189 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.83 99.44 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.42 -45.16 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.407 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -57.4 -49.99 74.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.14 -45.82 91.73 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -55.28 -43.91 75.18 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 21' ' ' LEU . 80.0 mt -61.85 -41.34 97.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.7 178.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.468 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.82 -48.97 78.22 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.475 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.1 m-85 -60.12 -41.03 91.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.531 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.48 91.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.745 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 -42.31 83.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.641 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.72 -44.44 96.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.439 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.07 -42.28 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.53 -41.35 98.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.897 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.41 -43.78 96.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.823 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.17 -29.09 69.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.034 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -79.37 -4.8 52.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.468 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.62 12.18 75.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.03 80.46 3.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.75 0.31 . . . . 0.0 110.332 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -65.22 -34.57 78.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.558 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.24 80.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.724 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.35 -35.15 79.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.375 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.06 -48.56 78.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.493 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -60.74 -43.24 98.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.624 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.09 99.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.755 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.36 -42.66 92.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.549 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.564 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.6 mtm -64.17 -41.24 97.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.571 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.51 -47.63 84.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.428 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.29 -40.71 97.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.35 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.7 p -61.95 -46.38 89.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.502 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.92 -42.54 98.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.313 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.5 -42.97 99.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.353 0.597 . . . . 0.0 110.542 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.83 98.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.354 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.622 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 94.1 mt -65.74 -40.43 92.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -61.06 -41.5 96.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.368 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -64.65 -40.16 94.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.015 0.436 . . . . 0.0 110.05 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -44.48 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.369 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.613 ' O ' HG23 ' C' ' 56' ' ' THR . 60.1 t-80 -61.77 -38.71 89.06 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.274 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.493 ' O ' ' OG1' ' C' ' 56' ' ' THR . 40.7 mt -61.3 -43.57 98.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.271 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.93 -43.36 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.045 0.45 . . . . 0.0 109.972 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.81 -43.95 97.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.245 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.613 HG23 ' O ' ' C' ' 52' ' ' HIS . 33.9 p -57.13 -41.35 78.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.134 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.26 -38.66 92.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.936 0.398 . . . . 0.0 110.48 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -65.34 -28.98 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.644 HD11 HE21 ' C' ' 78' ' ' GLN . 77.0 mt . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.835 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.636 ' O ' HG23 ' C' ' 75' ' ' VAL . 93.0 p . . . . . 0 C--O 1.227 -0.081 0 CA-C-O 121.035 0.445 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.59 HD11 HD22 ' B' ' 72' ' ' LEU . 3.8 mm? -60.66 -45.02 95.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.637 -177.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.631 HG13 HG21 ' C' ' 8' ' ' VAL . 61.6 t -64.73 -46.87 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 130.06 3.344 . . . . 0.0 110.657 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.48 -40.93 89.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.636 HG23 ' O ' ' C' ' 71' ' ' SER . 54.2 t -59.78 -48.22 88.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.232 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.28 -45.11 92.13 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.292 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.08 94.46 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.864 0.364 . . . . 0.0 110.383 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . 0.644 HE21 HD11 ' C' ' 59' ' ' ILE . 85.1 mt-30 -63.82 -41.2 97.92 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.236 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.464 ' O ' HG23 ' C' ' 83' ' ' THR . 52.8 tp -57.19 -46.64 82.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.492 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -67.59 -46.78 71.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.704 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -61.44 -45.74 93.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.803 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.3 -43.59 98.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.345 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.464 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.7 p -64.41 -47.65 78.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.171 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -61.84 -48.43 80.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.609 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -58.1 -47.95 81.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.516 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.58 -46.04 91.59 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.178 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.54 81.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.901 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.622 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 7.8 tmm_? -58.24 -45.16 88.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.227 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.93 -43.75 98.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.158 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.84 -42.26 97.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.12 0.486 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.468 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.4 mt -59.72 -41.93 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.407 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 89.3 m -57.88 -45.32 86.54 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.973 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.48 -44.09 97.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.459 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.516 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 91.0 mt -58.43 -43.22 88.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . 0.564 HD12 ' SD ' ' C' ' 41' ' ' MET . 92.2 mt -61.58 -42.8 95.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.615 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -60.99 -40.52 93.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.724 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 97' ' ' LEU . 84.5 mt -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.89 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 66.3 m80 -60.07 -38.42 82.81 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -63.53 -39.72 95.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.156 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.99 -39.13 93.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.199 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.3 mt . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.315 179.725 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.535 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.929 0.871 . . . . 0.0 108.935 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.465 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.76 143.05 36.76 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.34 38.61 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.064 -1.022 . . . . 0.0 109.502 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.12 28.41 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.24 19.0 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.412 178.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.75 144.39 19.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.61 37.0 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.115 0.96 . . . . 0.0 110.145 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . 0.483 HD13 HD23 ' D' ' 314' ' ' LEU . 50.8 mt -84.96 114.29 24.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.9 -4.26 19.35 Favored 'General case' 0 C--N 1.265 -3.07 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.806 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.8 85.83 Favored Pre-proline 0 N--CA 1.499 2.012 0 O-C-N 119.672 -1.892 . . . . 0.0 110.608 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.52 -47.63 13.0 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 124.728 3.619 . . . . 0.0 114.152 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.606 ' CB ' ' NE2' ' C' ' 52' ' ' HIS . 1.5 p30 -102.22 27.72 6.46 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 116.014 -2.274 . . . . 0.0 108.743 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 57.14 -148.13 33.41 Favored Glycine 0 N--CA 1.496 2.675 0 C-N-CA 117.659 -2.21 . . . . 0.0 109.631 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.483 HD23 HD13 ' D' ' 308' ' ' ILE . 1.4 mm? -83.53 82.71 8.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.846 -1.385 . . . . 0.0 109.529 -177.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.432 ' CE1' ' H ' ' D' ' 317' ' ' ARG . 3.1 p80 -78.92 179.03 7.53 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 117.857 -1.537 . . . . 0.0 112.129 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.474 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 7.6 p -36.92 -68.77 0.13 Allowed 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 -176.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.474 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.9 tmm_? -58.43 -51.59 80.73 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 120.148 -0.621 . . . . 0.0 112.499 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.9 Cg_endo -64.72 -32.19 57.44 Favored 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 120.939 1.093 . . . . 0.0 111.468 -177.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.478 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.86 86.86 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.231 -0.918 . . . . 0.0 109.482 -179.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.96 -39.65 72.42 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -64.02 -39.42 94.05 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 117.953 -1.499 . . . . 0.0 109.427 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.61 -45.32 93.39 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.677 1.227 . . . . 0.0 108.738 -177.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.478 HG23 ' O ' ' D' ' 319' ' ' ALA . 55.8 t -62.68 -42.27 95.43 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.215 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.649 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.566 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.2 mttt -63.83 -40.28 96.22 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.209 -0.932 . . . . 0.0 109.794 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.536 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.8 -39.66 80.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.477 -0.764 . . . . 0.0 109.559 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.09 -44.01 91.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.599 -1.313 . . . . 0.0 109.44 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.32 -16.18 43.25 Favored 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.61 86.1 Favored Glycine 0 N--CA 1.48 1.593 0 O-C-N 119.988 -1.695 . . . . 0.0 109.278 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.404 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.49 143.36 32.82 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.277 -1.72 . . . . 0.0 110.072 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.6 -30.18 59.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.223 -0.923 . . . . 0.0 112.231 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.72 158.51 10.14 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.873 -1.767 . . . . 0.0 112.88 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.18 35.32 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 171.315 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.66 136.54 60.51 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 CA-C-O 122.205 1.002 . . . . 0.0 109.335 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.86 143.14 50.99 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-O 123.114 1.435 . . . . 0.0 109.997 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.04 129.92 61.41 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 173.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.0 m -127.49 119.58 26.39 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.963 -1.086 . . . . 0.0 108.887 -178.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.58 39.22 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.582 -0.699 . . . . 0.0 109.953 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.78 39.01 24.63 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.913 -1.117 . . . . 0.0 112.73 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.61 10.94 83.7 Favored Glycine 0 N--CA 1.5 2.957 0 O-C-N 119.934 -1.729 . . . . 0.0 112.607 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.82 136.22 54.56 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 67.9 m -124.7 158.53 32.98 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.825 1.774 . . . . 0.0 112.429 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.69 151.37 31.35 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-N 112.498 -2.137 . . . . 0.0 108.57 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.55 135.9 48.88 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.95 -6.82 47.82 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.693 -1.254 . . . . 0.0 110.727 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.46 12.99 31.39 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.587 -1.321 . . . . 0.0 109.399 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 95.4 p -133.11 104.15 6.37 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.226 1.012 . . . . 0.0 110.123 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.19 -37.88 72.83 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.997 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -58.86 -51.45 69.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.561 -1.337 . . . . 0.0 113.036 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.06 -32.38 70.45 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.544 -1.972 . . . . 0.0 109.176 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.8 -33.83 76.01 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.926 -177.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -67.53 -10.54 52.73 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.674 -0.641 . . . . 0.0 109.956 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.7 p -89.75 -7.69 53.92 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 118.151 -1.42 . . . . 0.0 110.911 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.38 159.26 15.33 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 110.188 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.61 104.86 2.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 106.933 -2.467 . . . . 0.0 106.933 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 78.9 mt -119.59 47.36 1.73 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 120.705 -1.468 . . . . 0.0 107.436 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.993 HG22 HG21 ' C' ' 56' ' ' THR . 2.9 p -81.5 172.51 13.41 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.211 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -60.68 140.95 57.29 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.901 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.28 79.08 Favored Glycine 0 N--CA 1.501 2.968 0 C-N-CA 119.976 -1.107 . . . . 0.0 111.414 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.41 135.94 34.06 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.818 -1.401 . . . . 0.0 110.592 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.2 t -96.55 123.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.491 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.3 m -112.16 160.06 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 117.398 -1.721 . . . . 0.0 110.634 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.6 m -108.89 128.36 54.85 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 120.526 -1.359 . . . . 0.0 107.601 175.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.84 121.43 60.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.419 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.29 50.69 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.78 153.39 47.13 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.72 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.69 6.37 Favored 'General case' 0 C--N 1.287 -2.118 0 C-N-CA 118.563 -1.255 . . . . 0.0 108.088 178.14 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.3 -170.29 40.18 Favored Glycine 0 C--N 1.296 -1.68 0 C-N-CA 118.002 -2.047 . . . . 0.0 110.353 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.59 82.53 Favored 'General case' 0 C--N 1.276 -2.598 0 CA-C-N 114.42 -0.89 . . . . 0.0 112.234 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.04 36.78 3.55 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 115.862 -2.335 . . . . 0.0 108.62 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.45 -33.45 65.91 Favored 'General case' 0 N--CA 1.521 3.082 0 N-CA-C 116.906 2.188 . . . . 0.0 116.906 -174.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.462 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.67 27.56 Favored 'General case' 0 N--CA 1.509 2.484 0 O-C-N 119.569 -1.957 . . . . 0.0 110.946 -176.61 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.83 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.56 -40.66 97.56 Favored 'General case' 0 C--N 1.283 -2.293 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.52 77.53 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.464 -1.695 . . . . 0.0 110.039 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.77 -42.25 89.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 122.203 1.001 . . . . 0.0 109.298 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.93 -47.9 76.7 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.972 0.892 . . . . 0.0 108.75 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.83 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.8 m-70 -69.71 -38.32 76.89 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.8 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' D' ' 377' ' ' LEU . 81.1 mt -75.61 -28.64 58.95 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.367 -1.458 . . . . 0.0 110.897 -174.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.5 70.97 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.447 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.16 63.5 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.536 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.25 84.26 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 118.996 -1.082 . . . . 0.0 110.465 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.491 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.33 -37.42 85.54 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.919 -1.113 . . . . 0.0 111.538 -177.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.67 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.068 -1.02 . . . . 0.0 110.274 -178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.81 -32.29 46.21 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.439 -0.788 . . . . 0.0 111.401 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 125.42 12.2 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 124.277 1.989 . . . . 0.0 112.914 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.806 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 33.6 tp10 . . . . . 0 C--N 1.277 -2.571 0 CA-C-N 111.192 -2.731 . . . . 0.0 110.173 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.8 mt . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -64.68 -47.51 78.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.881 0.372 . . . . 0.0 110.226 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -67.21 -36.65 82.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.314 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.436 HG11 HD11 ' A' ' 58' ' ' LEU . 72.7 t -63.91 -42.41 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.354 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 4' ' ' LEU . 71.1 t -60.4 -45.19 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.959 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.05 -42.02 89.27 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.65 -41.91 97.54 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.88 -43.16 99.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.252 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.32 -43.96 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.792 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.566 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 87.1 mt -63.73 -44.39 98.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.496 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 50.5 t-20 -60.95 -45.94 92.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.856 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 t -60.78 -43.59 97.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.01 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.85 97.64 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.06 -44.21 96.45 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.35 -49.12 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.863 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.37 -45.44 93.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.57 -45.22 81.43 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.66 -41.7 97.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.71 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.66 -48.0 80.73 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -60.47 -41.16 93.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.551 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.11 -42.22 94.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.758 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.6 85.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.702 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.47 HD11 ' CE1' ' A' ' 98' ' ' HIS . 56.5 tp -61.6 -44.97 96.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.447 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.4 -41.52 72.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.99 -41.1 95.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.816 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.48 94.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.743 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.15 -30.24 70.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.137 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -79.43 -4.61 51.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.474 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.86 13.09 75.9 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.95 80.8 3.02 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.776 0.322 . . . . 0.0 110.255 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -64.95 -34.55 78.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.646 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.88 77.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.978 0.418 . . . . 0.0 110.761 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.37 80.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.374 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.69 77.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.594 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -62.02 -42.36 99.08 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.623 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.95 99.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.775 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -65.43 -41.1 93.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.535 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.482 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 3.2 mmt -62.54 -41.09 98.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.653 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -62.11 -44.18 97.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.95 0.405 . . . . 0.0 110.469 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.17 -41.28 99.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.236 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.2 p -61.58 -45.58 93.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.63 -42.5 97.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.363 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.7 mtp -61.77 -41.95 98.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.51 . . . . 0.0 110.529 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.13 99.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.21 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.99 -39.88 90.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -60.82 -41.58 96.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.197 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.39 -39.91 92.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.016 0.436 . . . . 0.0 110.191 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.496 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.27 -43.33 82.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.501 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -63.09 -38.28 90.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.373 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.7 mt -61.15 -43.36 99.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.328 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.87 -43.44 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.0 110.04 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.43 -42.1 95.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.215 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.2 m -57.0 -43.48 81.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.972 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -60.32 -40.17 89.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 110.527 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.47 ' HB3' HD21 ' A' ' 74' ' ' LEU . 94.9 mt -68.83 -39.08 80.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.737 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.84 -39.52 82.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.488 -179.238 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.895 0.379 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 75' ' ' VAL . 64.9 p -135.0 170.68 15.54 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.1 tp -57.13 -45.25 83.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.522 HG13 HG21 ' A' ' 8' ' ' VAL . 55.4 t -61.78 -45.53 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.898 0.38 . . . . 0.0 110.552 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 58' ' ' LEU . 31.2 mt -61.5 -39.99 92.95 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 71' ' ' SER . 52.6 t -59.66 -47.1 92.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.228 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -59.05 -45.81 89.84 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.269 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.64 99.62 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.655 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.499 ' OE1' ' OE2' ' B' ' 76' ' ' GLU . 85.7 mt-30 -62.56 -39.4 93.53 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.18 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 83' ' ' THR . 44.8 tp -57.87 -47.75 81.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.41 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -67.4 -48.26 67.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.671 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.451 HD21 ' HB1' ' A' ' 51' ' ' ALA . 14.8 mt -61.35 -45.04 96.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.841 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.02 -43.25 99.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.213 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.2 p -63.94 -46.52 84.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.121 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.9 p -62.72 -49.88 73.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.441 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.72 -47.92 81.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.509 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.65 -45.14 95.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.057 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -47.34 85.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.804 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -57.98 -45.88 86.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.133 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.34 -43.43 98.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.074 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.17 -42.94 96.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.0 109.774 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.515 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.7 mt -60.31 -41.8 88.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.371 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.482 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 89.1 m -57.15 -45.56 83.47 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.54 -42.95 98.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.564 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 94' ' ' LEU . 84.4 mt -59.7 -43.27 94.17 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.27 -42.89 95.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.538 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.76 -39.37 88.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 109.709 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.16 -41.7 98.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.861 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.47 ' CE1' HD11 ' A' ' 26' ' ' LEU . 47.7 m170 -58.14 -40.81 82.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -60.34 -39.08 85.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.17 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.06 -36.19 83.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.183 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.663 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.3 mt . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 120.591 0.234 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -65.11 -47.07 78.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.391 . . . . 0.0 110.355 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -67.33 -36.74 82.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.212 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.421 HG11 HD11 ' B' ' 58' ' ' LEU . 73.0 t -63.87 -42.64 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.346 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.663 HG23 ' O ' ' B' ' 4' ' ' LEU . 72.6 t -60.2 -44.98 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.883 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -59.36 -42.0 90.57 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.19 97.58 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' ' 11' ' ' LEU . 33.3 mt -62.65 -43.12 99.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.788 0.328 . . . . 0.0 110.361 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.67 -43.82 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.6 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.74 -44.64 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.878 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.491 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 50.3 t-20 -60.79 -46.25 91.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.79 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.8 t -60.31 -43.82 96.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.108 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.95 -43.01 98.08 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.04 -44.42 95.93 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.98 -49.12 77.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.907 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -60.44 -45.54 93.27 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.51 -45.21 81.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.44 -42.18 98.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.618 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.526 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.42 -48.28 79.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.94 -41.41 91.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.737 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.79 93.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.699 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.52 84.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.643 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.456 HD11 ' CE1' ' B' ' 98' ' ' HIS . 57.3 tp -61.71 -44.8 96.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.399 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.5 -41.74 73.49 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.83 -40.81 94.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.941 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.32 95.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.695 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.44 -29.89 70.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.115 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -79.93 -4.48 52.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.352 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.1 12.41 76.64 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.28 80.99 3.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.856 0.36 . . . . 0.0 110.314 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -65.23 -34.22 77.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.584 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.11 76.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.072 0.463 . . . . 0.0 110.818 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.37 80.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.399 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -48.87 77.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.56 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.91 -42.33 98.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.57 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.65 99.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.652 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.62 -40.95 93.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.551 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.481 ' O ' ' OG ' ' B' ' 44' ' ' SER . 3.2 mmt -62.67 -41.27 98.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.583 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.03 -44.28 97.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.457 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.99 -41.6 99.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.325 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.1 p -61.02 -45.98 92.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.5 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.61 -42.65 97.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.277 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.5 mtp -61.27 -42.13 98.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.359 0.599 . . . . 0.0 110.717 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.54 99.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.176 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.53 -40.08 92.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.749 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.57 -41.65 95.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.347 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.53 -39.72 92.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.218 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.491 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.37 -43.74 80.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.438 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.77 -38.27 89.93 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.283 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.15 -43.22 99.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.43 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.12 -43.32 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.001 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -60.49 -42.15 95.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.231 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 89.2 m -56.79 -43.69 81.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.968 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -60.29 -40.05 89.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.91 0.386 . . . . 0.0 110.547 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.493 ' HB3' HD21 ' B' ' 74' ' ' LEU . 95.9 mt -68.95 -39.2 79.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.659 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.74 -39.93 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.739 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 -179.189 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.461 0.119 0 CA-C-O 120.809 0.338 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.7 p -134.64 171.62 14.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.601 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.25 -44.69 92.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.586 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.516 HG13 HG21 ' B' ' 8' ' ' VAL . 55.9 t -61.39 -44.88 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.646 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' B' ' 58' ' ' LEU . 32.5 mt -61.66 -39.6 91.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 -178.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.5 -47.57 90.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.311 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.499 ' OE2' ' OE1' ' A' ' 78' ' ' GLN . 51.0 tp10 -58.84 -45.84 89.1 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.326 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.26 99.4 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.921 0.391 . . . . 0.0 110.441 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.507 ' OE1' ' OE2' ' C' ' 76' ' ' GLU . 85.6 mt-30 -62.84 -39.07 93.22 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.25 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.512 ' O ' HG23 ' B' ' 83' ' ' THR . 44.3 tp -58.24 -47.54 83.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.407 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.71 -47.99 67.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.761 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.445 HD21 ' HB1' ' B' ' 51' ' ' ALA . 14.6 mt -61.43 -45.14 95.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.04 -43.52 98.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.181 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.512 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.9 p -63.49 -46.94 83.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.172 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 76.8 p -62.3 -49.85 73.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.641 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.59 -48.11 80.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.416 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.48 -45.18 95.35 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.168 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.26 86.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.831 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.12 -45.43 87.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.247 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.94 -43.19 99.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.182 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.31 -42.56 96.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.065 0.459 . . . . 0.0 110.035 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.526 HD12 ' HB1' ' B' ' 22' ' ' ALA . 78.2 mt -60.6 -41.61 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.237 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.454 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 90.0 m -57.38 -45.0 84.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.092 0.472 . . . . 0.0 109.929 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.2 -42.52 96.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.499 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.11 -43.0 95.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.49 -42.78 95.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.517 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.93 -39.44 89.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' B' ' 97' ' ' LEU . 85.0 mt -62.09 -41.62 98.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.766 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.456 ' CE1' HD11 ' B' ' 26' ' ' LEU . 47.2 m170 -58.18 -40.43 81.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.795 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -60.98 -38.55 86.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.15 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.45 -36.29 83.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.247 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.353 179.639 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.3 mt . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.568 0.223 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -64.83 -47.46 77.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 0.0 110.371 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -66.79 -36.98 83.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.286 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.43 HG11 HD11 ' C' ' 58' ' ' LEU . 72.8 t -63.84 -42.29 95.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.407 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' C' ' 4' ' ' LEU . 75.0 t -60.42 -45.01 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.97 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mtp -59.25 -42.3 90.8 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.93 97.94 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' C' ' 11' ' ' LEU . 32.8 mt -62.79 -43.12 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 110.34 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.54 -43.8 98.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.754 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.64 -44.46 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.037 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.484 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 49.7 t-20 -61.1 -45.93 92.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.752 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -60.72 -43.58 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.147 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.16 -43.0 97.77 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -62.88 -44.24 96.63 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.46 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.75 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.58 -45.06 95.35 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -57.0 -44.85 83.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.89 -41.57 98.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.741 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.521 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.71 -47.96 80.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -60.53 -41.37 94.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.506 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.19 93.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.47 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.568 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.456 HD11 ' CE1' ' C' ' 98' ' ' HIS . 56.8 tp -61.68 -44.98 95.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.478 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.12 -42.13 72.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.67 -40.89 93.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.896 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.95 94.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.796 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.73 -29.8 70.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.102 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -79.75 -4.54 52.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.378 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.97 12.81 76.15 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -96.69 80.64 3.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.796 0.331 . . . . 0.0 110.273 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -65.01 -34.52 78.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.489 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.81 77.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.026 0.441 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.8 -35.26 80.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.404 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.81 77.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.436 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -61.76 -42.67 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.583 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.741 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.16 -41.15 94.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.527 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.464 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 3.3 mmt -62.46 -41.23 98.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.607 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.06 -44.47 96.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.437 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.86 -41.15 99.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.323 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.3 p -61.89 -45.24 94.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.537 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.09 -42.4 98.44 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.313 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.58 -42.51 98.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.404 0.621 . . . . 0.0 110.523 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.59 99.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.369 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.86 -39.98 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.769 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.79 -41.41 95.54 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.411 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.41 -40.16 93.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.08 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.484 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.04 -43.93 81.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.395 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.606 ' NE2' ' CB ' ' D' ' 312' ' ' ASN . 84.6 t60 -62.53 -38.3 89.45 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.377 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.41 -43.22 99.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.266 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.02 -43.2 96.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.003 0.43 . . . . 0.0 109.97 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.51 -42.24 95.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.273 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.993 HG21 HG22 ' D' ' 356' ' ' THR . 91.4 m -56.9 -43.43 81.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.126 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -60.42 -39.89 89.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.511 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.489 ' HB3' HD21 ' C' ' 74' ' ' LEU . 95.3 mt -68.84 -39.31 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.801 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.3 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.837 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.419 ' O ' HG23 ' C' ' 75' ' ' VAL . 37.6 p . . . . . 0 C--O 1.227 -0.08 0 CA-C-O 121.082 0.468 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.34 -45.33 91.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.721 -177.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.526 HG13 HG21 ' C' ' 8' ' ' VAL . 54.1 t -62.35 -45.22 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 130.075 3.35 . . . . 0.0 110.621 -178.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' C' ' 58' ' ' LEU . 38.2 mt -63.44 -39.44 94.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.086 0.469 . . . . 0.0 110.971 177.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 71' ' ' SER . 55.4 t -59.82 -48.2 88.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.244 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.507 ' OE2' ' OE1' ' B' ' 78' ' ' GLN . 50.4 tp10 -58.84 -45.83 89.12 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.34 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.48 99.51 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.83 0.348 . . . . 0.0 110.434 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.77 -39.09 93.09 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.291 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.499 ' O ' HG23 ' C' ' 83' ' ' THR . 44.8 tp -58.25 -47.52 83.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.472 -179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -67.81 -48.21 66.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . 0.445 HD21 ' HB1' ' C' ' 51' ' ' ALA . 15.0 mt -60.99 -45.28 95.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.804 -178.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.91 -43.15 99.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.392 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.499 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.9 p -64.28 -46.34 84.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.186 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -62.84 -49.45 74.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.614 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.87 -48.09 80.82 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.496 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.5 -45.35 94.61 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.109 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.29 85.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.979 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.28 -45.4 87.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.234 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.52 -43.6 98.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.155 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.99 -42.78 97.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.175 0.512 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.521 HD12 ' HB1' ' C' ' 22' ' ' ALA . 78.6 mt -60.43 -41.58 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.422 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.464 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 90.6 m -57.36 -44.98 84.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 109.926 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.36 -42.38 96.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.476 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.26 -42.93 96.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.44 -43.0 96.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.528 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.52 -39.7 88.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.706 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' C' ' 97' ' ' LEU . 85.1 mt -61.98 -41.5 98.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.89 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.456 ' CE1' HD11 ' C' ' 26' ' ' LEU . 47.2 m170 -58.08 -40.6 81.47 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.92 -38.73 86.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.07 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.29 -36.22 83.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.207 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.315 179.838 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.54 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.705 0 CA-C-O 121.8 0.81 . . . . 0.0 108.994 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.459 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.86 143.02 36.54 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.01 156.3 38.56 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.124 -0.985 . . . . 0.0 109.544 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.22 28.54 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.24 19.02 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.986 -1.071 . . . . 0.0 108.441 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.31 19.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.67 136.6 36.97 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.09 0.948 . . . . 0.0 110.197 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.34 24.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.93 -4.26 19.31 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.806 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.83 85.71 Favored Pre-proline 0 N--CA 1.499 2.021 0 O-C-N 119.629 -1.919 . . . . 0.0 110.602 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -45.58 -47.57 13.22 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 124.734 3.622 . . . . 0.0 114.123 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.544 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.5 m-20 -102.13 27.49 6.61 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 116.104 -2.238 . . . . 0.0 108.817 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.96 -142.29 47.47 Favored Glycine 0 N--CA 1.497 2.707 0 C-N-CA 117.692 -2.194 . . . . 0.0 109.548 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.8 tp -90.76 75.97 6.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.921 -1.34 . . . . 0.0 109.533 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.67 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.5 p80 -69.74 175.88 3.97 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.941 -1.503 . . . . 0.0 112.155 -178.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 65.1 p -39.07 -65.83 0.34 Allowed 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.446 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 2.0 tmm_? -57.08 -52.27 75.37 Favored Pre-proline 0 N--CA 1.493 1.71 0 C-N-CA 120.166 -0.614 . . . . 0.0 112.491 -177.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.54 -32.17 59.45 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 120.49 0.794 . . . . 0.0 111.524 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.48 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.94 -38.96 87.12 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.513 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.85 -39.74 72.76 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.87 -39.41 94.14 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.955 -1.498 . . . . 0.0 109.539 177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.69 -45.33 93.28 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 122.63 1.205 . . . . 0.0 108.713 -177.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.48 HG23 ' O ' ' D' ' 319' ' ' ALA . 55.0 t -62.6 -42.23 95.16 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.709 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.609 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.3 mttt -63.88 -40.32 96.26 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.271 -0.893 . . . . 0.0 109.793 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.538 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.74 -39.64 80.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.457 -0.777 . . . . 0.0 109.591 177.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.07 91.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.632 -1.292 . . . . 0.0 109.412 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.31 -16.19 43.29 Favored 'General case' 0 N--CA 1.51 2.573 0 O-C-N 121.299 -0.875 . . . . 0.0 113.361 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.62 86.05 Favored Glycine 0 N--CA 1.479 1.536 0 O-C-N 119.875 -1.765 . . . . 0.0 109.269 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.37 32.81 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.25 -1.735 . . . . 0.0 109.99 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.7 p -75.55 -30.11 59.62 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.202 -0.936 . . . . 0.0 112.359 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.82 158.63 10.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 119.838 -1.789 . . . . 0.0 112.79 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.583 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.01 130.2 35.27 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 102.813 -3.032 . . . . 0.0 102.813 171.26 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.65 136.67 60.12 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.381 0 CA-C-O 122.185 0.993 . . . . 0.0 109.299 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -125.04 143.16 51.05 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-O 123.123 1.44 . . . . 0.0 109.934 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.437 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.09 129.92 61.49 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.46 119.57 26.4 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.829 -1.169 . . . . 0.0 108.949 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.57 122.54 39.12 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.588 -0.695 . . . . 0.0 109.879 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.75 38.98 24.46 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.858 -1.151 . . . . 0.0 112.768 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.01 83.57 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 119.928 -1.732 . . . . 0.0 112.511 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.85 136.33 54.52 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 177.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.72 158.56 32.96 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-O 123.744 1.735 . . . . 0.0 112.504 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.38 31.33 Favored 'General case' 0 C--N 1.279 -2.497 0 CA-C-N 112.535 -2.121 . . . . 0.0 108.608 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.63 136.01 48.82 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 173.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.437 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.99 -6.77 47.64 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.702 -1.249 . . . . 0.0 110.707 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.43 12.94 31.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.615 -1.303 . . . . 0.0 109.386 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 89.6 p -133.13 104.16 6.37 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 122.176 0.988 . . . . 0.0 110.087 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . 0.475 HD22 ' CE ' ' A' ' 9' ' ' MET . 60.4 tp -57.21 -37.95 72.99 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.961 178.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -58.81 -51.4 70.15 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.622 -1.298 . . . . 0.0 113.055 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.48 70.56 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 119.583 -1.948 . . . . 0.0 109.179 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.71 -33.77 75.78 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.004 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -67.66 -10.44 52.27 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.657 -0.652 . . . . 0.0 109.899 -177.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 40.9 p -89.8 -7.74 53.7 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.091 -1.444 . . . . 0.0 110.939 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 93.4 mt -93.31 159.35 15.3 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.168 -0.958 . . . . 0.0 110.127 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.76 104.81 2.97 Favored Glycine 0 N--CA 1.484 1.9 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.5 mt -119.57 47.42 1.71 Allowed 'General case' 0 C--N 1.31 -1.149 0 O-C-N 120.727 -1.455 . . . . 0.0 107.437 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.862 HG22 HG21 ' C' ' 56' ' ' THR . 7.6 p -81.46 172.55 13.38 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.209 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -60.74 140.9 57.39 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.317 -0.953 . . . . 0.0 109.859 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.18 78.86 Favored Glycine 0 N--CA 1.501 3.024 0 C-N-CA 119.971 -1.109 . . . . 0.0 111.358 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.44 135.88 34.08 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 120.909 -1.347 . . . . 0.0 110.619 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.9 t -96.56 123.7 48.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 176.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.493 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.13 160.08 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 C-N-CA 117.4 -1.72 . . . . 0.0 110.658 178.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.9 128.45 54.93 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 120.509 -1.37 . . . . 0.0 107.603 175.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.87 121.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 176.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.26 50.71 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.44 47.16 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.464 -1.295 . . . . 0.0 109.693 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.54 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.81 6.44 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 118.62 -1.232 . . . . 0.0 108.099 178.148 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.25 40.12 Favored Glycine 0 C--N 1.296 -1.686 0 C-N-CA 118.003 -2.046 . . . . 0.0 110.378 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.52 -40.54 83.18 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 114.416 -0.892 . . . . 0.0 112.156 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.02 36.71 3.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 118.98 -2.325 . . . . 0.0 108.615 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.48 -33.46 65.96 Favored 'General case' 0 N--CA 1.522 3.129 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -173.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.446 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.69 27.42 Favored 'General case' 0 N--CA 1.509 2.501 0 O-C-N 119.549 -1.969 . . . . 0.0 110.956 -176.614 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.814 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.72 97.84 Favored 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.49 77.64 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 117.545 -1.662 . . . . 0.0 110.03 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 68.0 t -66.79 -42.26 89.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 122.253 1.025 . . . . 0.0 109.299 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.85 -47.96 76.36 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 122.015 0.912 . . . . 0.0 108.746 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.814 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.76 -38.36 76.73 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.717 -178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.51 -28.69 59.24 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.342 -1.474 . . . . 0.0 110.909 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.425 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.29 62.73 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.538 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.23 -45.21 84.09 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 118.985 -1.086 . . . . 0.0 110.516 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.493 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.31 -37.45 85.61 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.97 -1.081 . . . . 0.0 111.482 -177.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.75 61.61 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.135 -0.978 . . . . 0.0 110.279 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.9 -32.37 45.75 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.512 -0.743 . . . . 0.0 111.324 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.09 125.49 12.33 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.396 2.046 . . . . 0.0 112.916 178.678 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.806 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.7 mm-40 . . . . . 0 C--N 1.278 -2.543 0 CA-C-N 111.108 -2.769 . . . . 0.0 110.124 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.616 ' O ' HG23 ' A' ' 8' ' ' VAL . 98.0 mt . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.84 -47.01 79.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.929 0.395 . . . . 0.0 110.296 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -67.66 -36.33 80.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.284 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.413 HG11 HD11 ' A' ' 58' ' ' LEU . 96.6 t -64.19 -41.9 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.404 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.624 HG21 HG13 ' A' ' 73' ' ' VAL . 66.2 t -60.56 -44.28 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.894 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.475 ' CE ' HD22 ' D' ' 347' ' ' LEU . 89.5 mtp -58.88 -41.44 87.11 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.431 ' HA2' ' HZ1' ' D' ' 324' ' ' LYS . . . -64.25 -42.34 97.91 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 11' ' ' LEU . 34.2 mt -62.79 -42.89 99.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.245 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.08 -43.96 99.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.728 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.609 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 90.3 mt -63.44 -44.33 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.948 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -61.39 -46.16 91.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.794 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 t -60.43 -44.22 95.99 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.79 -43.61 97.45 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.05 -44.91 94.53 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.28 -49.74 76.08 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.55 -45.9 92.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.15 -44.51 79.3 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.86 -41.46 97.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.69 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -57.43 -49.23 76.89 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -60.04 -40.79 90.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.634 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.57 97.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.729 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.7 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.651 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.49 -45.21 95.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.44 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.32 -41.46 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.4 -41.64 97.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.8 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.59 94.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.712 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.29 -29.52 69.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.141 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -80.7 -4.59 54.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.436 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.01 13.41 79.39 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.27 81.74 3.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.703 0.287 . . . . 0.0 110.282 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -64.95 -34.71 79.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.661 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.49 82.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.043 0.449 . . . . 0.0 110.73 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.57 81.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.348 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.87 -47.47 80.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.564 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -61.47 -43.7 98.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.623 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.6 99.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.53 -41.09 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.582 ' O ' ' NH2' ' A' ' 88' ' ' ARG . 90.9 mtp -62.08 -42.23 98.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.633 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.25 -44.39 97.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.955 0.407 . . . . 0.0 110.544 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.72 -42.48 95.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -60.3 -47.7 84.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.55 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -59.83 -42.89 94.56 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.332 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.5 mtp -61.48 -42.12 98.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.207 0.527 . . . . 0.0 110.532 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.22 97.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.214 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' A' ' 18' ' ' ALA . 88.6 mt -65.15 -39.93 93.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.69 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.08 -41.41 96.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.26 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -64.63 -39.98 94.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.034 0.445 . . . . 0.0 110.217 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.03 74.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.84 -39.02 87.5 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 53' ' ' LEU . 37.6 mt -60.54 -43.94 96.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.292 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.61 -43.48 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.073 0.463 . . . . 0.0 110.02 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -59.84 -43.41 94.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.227 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 m -56.45 -42.88 78.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.003 0.43 . . . . 0.0 110.022 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.57 -40.5 94.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.511 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.413 HD11 HG11 ' A' ' 7' ' ' VAL . 97.7 mt -68.37 -39.75 81.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.733 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.07 -40.02 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.486 -179.033 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 70' ' ' VAL . 30.3 m . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 121.014 0.435 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.653 ' O ' HG23 ' A' ' 75' ' ' VAL . 86.0 p -131.13 165.25 23.71 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.61 ' O ' HD13 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -56.99 -48.36 78.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.638 -179.503 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.624 HG13 HG21 ' A' ' 8' ' ' VAL . 53.7 t -63.08 -47.13 94.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.542 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.58 -40.38 96.7 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 71' ' ' SER . 54.5 t -59.15 -47.53 89.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.189 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -59.35 -45.27 91.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.324 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.91 93.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.07 -39.36 94.49 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.125 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.514 HD21 ' SD ' ' C' ' 82' ' ' MET . 35.1 tp -56.49 -48.34 77.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.427 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -67.62 -46.95 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.727 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.42 -47.45 84.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.885 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.23 -44.71 95.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.175 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.9 p -62.63 -45.37 93.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.118 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.8 p -62.34 -47.24 85.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.511 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.529 ' C ' ' SD ' ' A' ' 85' ' ' MET . 16.3 tmm? -59.05 -47.77 84.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.556 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.21 -45.36 94.9 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.102 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.05 91.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.89 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.582 ' NH2' ' O ' ' A' ' 41' ' ' MET . 15.2 tpt85 -61.67 -45.26 94.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.136 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.85 -47.56 85.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.09 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.81 -40.44 95.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.225 0.536 . . . . 0.0 109.869 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.495 HD13 ' HB1' ' A' ' 22' ' ' ALA . 33.6 mt -60.7 -41.98 90.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.5 m -57.47 -46.05 84.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.005 0.431 . . . . 0.0 109.849 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.427 ' CD ' ' CD2' ' B' ' 26' ' ' LEU . 99.1 mt-10 -62.51 -42.8 99.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.636 179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.543 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.7 mt -60.06 -43.63 95.27 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.28 -43.16 96.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.508 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -60.11 -39.51 86.48 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.819 HD21 ' NE2' ' B' ' 98' ' ' HIS . 39.4 mt -62.19 -42.15 99.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.856 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.697 ' NE2' HD21 ' C' ' 97' ' ' LEU . 70.6 m80 -59.93 -40.88 90.44 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -64.36 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.189 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.25 -39.99 94.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.211 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.354 179.653 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.601 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.4 mt . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.575 0.226 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.0 -46.89 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.39 . . . . 0.0 110.333 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -67.67 -36.23 80.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.183 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.419 HG11 HD11 ' B' ' 58' ' ' LEU . 96.3 t -64.2 -42.35 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.603 HG21 HG13 ' B' ' 73' ' ' VAL . 68.3 t -60.24 -44.06 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.884 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -59.18 -41.42 88.45 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.55 -42.21 97.54 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -62.59 -42.78 99.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.752 0.31 . . . . 0.0 110.361 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.48 -44.09 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.666 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.07 -44.41 99.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.972 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -61.25 -46.13 91.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.873 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.5 t -60.49 -44.31 96.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.129 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.71 -43.09 98.33 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.2 -45.45 91.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.449 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.88 -49.53 76.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.906 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.67 -45.75 92.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.24 -44.33 79.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.06 -41.59 98.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.667 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.508 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -57.53 -48.93 77.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -60.33 -40.78 91.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.647 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -43.73 96.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.718 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.84 84.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.605 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.427 ' CD2' ' CD ' ' A' ' 93' ' ' GLU . 58.2 tp -61.51 -45.14 95.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.287 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.37 -41.56 72.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.17 -41.54 96.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.864 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.39 96.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.684 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.27 -29.54 69.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.091 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.83 -4.43 54.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.376 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.88 13.37 79.7 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.31 81.49 3.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.75 0.309 . . . . 0.0 110.287 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -64.8 -34.83 79.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.526 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.66 81.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.33 80.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.466 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.11 78.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.509 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.89 -43.95 97.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.593 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.69 99.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.684 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.72 -40.73 92.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.592 ' O ' ' NH2' ' B' ' 88' ' ' ARG . 90.8 mtp -62.19 -42.42 99.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.99 -44.68 97.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.504 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.41 -42.51 96.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.1 m -60.48 -47.77 84.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.544 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -59.5 -43.04 93.45 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.26 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.6 mtp -61.35 -42.27 98.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.282 0.563 . . . . 0.0 110.619 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.93 97.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.449 HD21 ' CB ' ' B' ' 18' ' ' ALA . 87.7 mt -65.55 -39.66 91.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.695 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.3 -40.94 96.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.326 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -65.15 -39.5 93.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.177 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.9 73.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.405 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -60.89 -39.24 88.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.266 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.27 -44.21 95.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.324 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.56 -43.12 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.078 0.466 . . . . 0.0 110.003 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -60.3 -43.28 96.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.26 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -56.48 -42.96 79.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.923 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.4 -40.68 95.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.887 0.375 . . . . 0.0 110.523 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.419 HD11 HG11 ' B' ' 7' ' ' VAL . 97.8 mt -68.29 -39.74 82.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.13 -40.07 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.757 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.556 -178.918 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 70' ' ' VAL . 27.1 m . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.879 0.371 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.684 ' O ' HG23 ' B' ' 75' ' ' VAL . 97.1 p -131.04 166.86 20.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.521 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.608 HD13 ' O ' ' B' ' 72' ' ' LEU . 0.2 OUTLIER -58.78 -48.73 80.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.571 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.603 HG13 HG21 ' B' ' 8' ' ' VAL . 52.5 t -62.09 -46.72 95.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.654 -178.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.52 -40.31 96.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.046 0.45 . . . . 0.0 110.949 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 71' ' ' SER . 54.8 t -59.27 -47.58 89.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.254 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' B' ' 80' ' ' HIS . 15.6 tm-20 -59.5 -44.98 92.97 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.325 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.92 94.05 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.862 0.363 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.35 -39.03 93.43 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.166 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 83' ' ' THR . 34.5 tp -56.72 -48.06 78.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.413 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.601 ' CE1' ' OE2' ' B' ' 76' ' ' GLU . 63.4 m80 -67.96 -46.63 70.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.753 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.56 -47.27 84.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.49 -44.78 95.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.205 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.511 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.0 p -62.57 -45.31 93.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.197 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 79.0 p -62.27 -47.31 84.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.601 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.53 ' C ' ' SD ' ' B' ' 85' ' ' MET . 16.3 tmm? -59.13 -47.87 83.7 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.532 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.95 -45.42 94.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.147 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.72 88.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.938 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.592 ' NH2' ' O ' ' B' ' 41' ' ' MET . 15.1 tpt85 -61.07 -44.95 96.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.233 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.24 -47.63 85.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.189 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 90' ' ' LEU . 92.6 mt -64.69 -40.38 95.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.176 0.513 . . . . 0.0 110.051 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.508 HD13 ' HB1' ' B' ' 22' ' ' ALA . 33.7 mt -60.49 -42.04 89.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.192 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 72.4 m -57.67 -45.65 85.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.088 0.47 . . . . 0.0 109.868 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.435 ' CD ' ' CD2' ' C' ' 26' ' ' LEU . 98.7 mt-10 -62.95 -42.36 99.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.491 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.54 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.6 mt -60.6 -43.34 97.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.451 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.44 -43.09 96.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.461 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.22 -39.24 85.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.737 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.814 HD21 ' NE2' ' C' ' 98' ' ' HIS . 37.6 mt -62.77 -41.75 99.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.772 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.819 ' NE2' HD21 ' A' ' 97' ' ' LEU . 71.0 m80 -60.28 -40.88 91.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -64.38 -38.4 90.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.133 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -62.29 -39.92 94.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.166 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 179.449 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.613 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.6 mt . . . . . 0 N--CA 1.457 -0.119 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.0 -47.12 78.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.377 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -67.22 -36.18 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.282 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.53 -41.56 92.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.613 HG23 ' O ' ' C' ' 4' ' ' LEU . 67.4 t -60.87 -44.16 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.996 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mtp -59.13 -41.26 87.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.19 -42.63 97.89 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.63 -42.61 99.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.353 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.47 -44.0 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.731 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.35 -44.0 98.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.124 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.426 HD22 ' HA ' ' C' ' 14' ' ' ASN . 7.2 m120 -61.67 -45.93 91.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.824 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.66 -44.23 96.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.158 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.62 -43.58 97.74 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.1 -44.7 94.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.46 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.31 -50.11 74.77 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.45 -45.53 93.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.39 -44.46 80.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.89 -41.37 97.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.722 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.509 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -57.55 -48.96 77.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -60.23 -40.81 91.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.528 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.2 99.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.705 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.82 86.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.621 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.435 ' CD2' ' CD ' ' B' ' 93' ' ' GLU . 58.0 tp -61.72 -44.63 96.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.443 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -55.89 -41.24 74.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.546 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.6 -40.88 96.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.919 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.13 96.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.825 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.98 -29.11 70.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.062 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.87 -4.44 54.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.481 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.87 13.41 79.62 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -95.35 81.5 3.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.755 0.312 . . . . 0.0 110.238 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -64.88 -35.04 79.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.459 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.98 81.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.65 81.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.38 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.15 78.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.45 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -60.88 -43.79 97.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.559 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.09 99.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.37 -40.58 93.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.513 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.588 ' O ' ' NH2' ' C' ' 88' ' ' ARG . 91.2 mtp -62.46 -42.35 99.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.591 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.21 -44.44 97.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.448 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.75 -42.33 95.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.343 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -60.65 -47.51 85.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -59.71 -43.16 94.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.383 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.13 -41.92 97.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.313 0.577 . . . . 0.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.31 96.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.319 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' C' ' 18' ' ' ALA . 88.2 mt -65.23 -40.1 93.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.742 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.79 -41.34 95.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.356 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.8 -40.25 94.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.074 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.1 -45.98 75.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.423 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.544 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.7 t-80 -60.95 -38.96 87.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.357 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 mt -60.78 -43.51 97.99 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.338 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.86 -43.24 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.415 . . . . 0.0 109.922 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -60.29 -43.25 96.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.157 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.862 HG21 HG22 ' D' ' 356' ' ' THR . 17.5 m -56.54 -42.92 79.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.953 0.406 . . . . 0.0 110.183 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.55 -40.27 94.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.546 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' C' ' 58' ' ' LEU . 97.8 mt -68.38 -39.65 81.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.79 -179.718 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.69 ' O ' HG23 ' C' ' 75' ' ' VAL . 93.3 p . . . . . 0 C--O 1.227 -0.115 0 CA-C-O 121.058 0.456 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.685 ' O ' HD13 ' C' ' 72' ' ' LEU . 0.3 OUTLIER -58.79 -49.1 78.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.671 -177.503 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.555 HG13 HG21 ' C' ' 8' ' ' VAL . 50.3 t -62.81 -47.12 94.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 130.084 3.354 . . . . 0.0 110.571 -177.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.47 -39.98 94.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.058 0.456 . . . . 0.0 110.989 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.69 HG23 ' O ' ' C' ' 71' ' ' SER . 53.6 t -59.68 -48.18 88.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.215 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.579 ' OE2' ' CE1' ' C' ' 80' ' ' HIS . 15.4 tm-20 -59.32 -45.23 91.91 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.303 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.84 -44.38 93.35 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.925 0.393 . . . . 0.0 110.506 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -62.94 -39.21 93.93 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.259 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.5 ' O ' HG23 ' C' ' 83' ' ' THR . 34.0 tp -56.52 -48.15 77.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.467 -179.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.579 ' CE1' ' OE2' ' C' ' 76' ' ' GLU . 62.5 m80 -67.97 -46.59 70.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.7 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.59 -47.38 84.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.871 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . 0.514 ' SD ' HD21 ' A' ' 79' ' ' LEU . 94.0 mtp -62.36 -44.65 95.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.344 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.5 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.8 p -62.54 -45.84 91.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.18 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -61.8 -47.52 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.571 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . 0.528 ' C ' ' SD ' ' C' ' 85' ' ' MET . 16.4 tmm? -58.76 -48.11 82.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.468 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.01 -45.27 95.51 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.094 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.47 89.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.001 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.588 ' NH2' ' O ' ' C' ' 41' ' ' MET . 15.3 tpt85 -61.5 -45.08 95.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.215 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.8 -47.82 84.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 110.149 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.73 -40.76 95.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.195 0.521 . . . . 0.0 110.037 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.509 HD13 ' HB1' ' C' ' 22' ' ' ALA . 33.3 mt -60.16 -41.9 88.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.418 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 69.7 m -57.72 -45.56 85.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.09 0.472 . . . . 0.0 109.938 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.12 -42.17 99.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.484 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.8 mt -60.63 -43.36 97.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.52 -43.11 96.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.553 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -60.0 -39.57 86.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.738 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.697 HD21 ' NE2' ' A' ' 98' ' ' HIS . 38.5 mt -62.23 -42.02 98.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.902 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.814 ' NE2' HD21 ' B' ' 97' ' ' LEU . 70.8 m80 -60.13 -40.9 91.39 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -64.39 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.156 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.15 -40.24 95.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.212 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.296 179.562 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 121.873 0.844 . . . . 0.0 108.923 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.3 t80 -139.84 142.94 36.57 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.31 38.62 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.916 -1.115 . . . . 0.0 109.506 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.11 149.16 28.49 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.33 18.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.035 -1.041 . . . . 0.0 108.365 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.93 144.39 19.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.4 m -96.64 136.55 37.01 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.092 0.949 . . . . 0.0 110.163 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -84.95 114.33 24.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.92 -4.23 19.36 Favored 'General case' 0 C--N 1.265 -3.073 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.806 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.83 85.76 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 119.754 -1.841 . . . . 0.0 110.595 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -45.47 -47.71 12.77 Favored 'Trans proline' 0 C--N 1.312 -1.395 0 C-N-CA 124.746 3.631 . . . . 0.0 114.099 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -102.12 27.57 6.54 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 116.128 -2.229 . . . . 0.0 108.763 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.91 -141.21 47.72 Favored Glycine 0 N--CA 1.497 2.737 0 C-N-CA 117.645 -2.217 . . . . 0.0 109.565 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.6 81.77 3.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.92 -1.341 . . . . 0.0 109.489 -176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -80.33 176.21 9.97 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 117.872 -1.531 . . . . 0.0 112.154 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 74.8 p -34.58 -65.88 0.19 Allowed 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.525 ' NH1' ' C ' ' A' ' 16' ' ' GLY . 4.5 tpt180 -55.73 -56.73 26.71 Favored Pre-proline 0 N--CA 1.493 1.694 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.566 -177.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.1 -32.13 64.29 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.156 1.237 . . . . 0.0 111.578 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.475 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.03 -38.84 86.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.234 -0.916 . . . . 0.0 109.464 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.79 72.57 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -63.94 -39.37 94.0 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 117.975 -1.49 . . . . 0.0 109.453 177.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.76 -45.28 93.41 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 122.586 1.184 . . . . 0.0 108.647 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.475 HG23 ' O ' ' D' ' 319' ' ' ALA . 56.4 t -62.61 -42.22 95.12 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.725 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -63.92 -40.27 96.09 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.74 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.535 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.84 -39.62 79.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.423 -0.798 . . . . 0.0 109.569 178.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.92 91.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.603 -1.31 . . . . 0.0 109.446 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.38 -16.29 44.91 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.85 -10.56 86.04 Favored Glycine 0 N--CA 1.48 1.581 0 O-C-N 119.93 -1.731 . . . . 0.0 109.308 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.404 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.48 143.38 32.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.32 -1.694 . . . . 0.0 110.039 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.6 -30.13 59.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.178 -0.951 . . . . 0.0 112.339 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.71 158.54 10.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 119.808 -1.807 . . . . 0.0 112.78 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.58 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.2 35.37 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 102.858 -3.016 . . . . 0.0 102.858 171.219 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.62 136.59 60.36 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.393 0 CA-C-O 122.254 1.026 . . . . 0.0 109.309 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.4 m -124.91 143.16 51.01 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 123.056 1.407 . . . . 0.0 110.009 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.8 t -108.02 129.9 61.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 173.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.9 m -127.41 119.55 26.43 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.9 -1.125 . . . . 0.0 108.988 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.54 39.13 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.548 -0.72 . . . . 0.0 109.912 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.83 38.97 24.7 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.895 -1.128 . . . . 0.0 112.745 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.01 83.62 Favored Glycine 0 N--CA 1.501 2.994 0 O-C-N 119.878 -1.764 . . . . 0.0 112.532 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.87 136.31 54.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 177.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.9 m -124.86 158.61 33.02 Favored 'General case' 0 C--N 1.276 -2.609 0 CA-C-O 123.761 1.743 . . . . 0.0 112.425 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.35 31.31 Favored 'General case' 0 C--N 1.279 -2.489 0 CA-C-N 112.462 -2.154 . . . . 0.0 108.597 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.58 135.98 48.89 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 173.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.96 -6.73 47.26 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.656 -1.278 . . . . 0.0 110.736 179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.54 13.01 31.47 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.657 -1.277 . . . . 0.0 109.386 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.3 p -133.03 104.11 6.37 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.108 0.956 . . . . 0.0 110.188 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.7 tp -57.21 -37.91 72.92 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.971 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . 0.404 ' CZ ' ' OE2' ' A' ' 5' ' ' GLU . 21.2 m-85 -58.91 -51.36 70.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.652 -1.28 . . . . 0.0 113.094 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.04 -32.44 70.57 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 119.572 -1.955 . . . . 0.0 109.256 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.8 -33.75 75.85 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 118.981 -1.088 . . . . 0.0 109.945 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -67.63 -10.36 51.48 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.659 -0.651 . . . . 0.0 110.015 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.6 p -89.83 -7.8 53.48 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 118.183 -1.407 . . . . 0.0 110.875 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.33 159.28 15.33 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.181 -0.949 . . . . 0.0 110.2 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 106.894 -2.482 . . . . 0.0 106.894 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.9 mt -119.55 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.215 0 O-C-N 120.632 -1.511 . . . . 0.0 107.352 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 73.3 p -81.5 172.58 13.32 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.219 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -60.68 140.88 57.33 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.845 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.5 -3.26 78.75 Favored Glycine 0 N--CA 1.5 2.906 0 C-N-CA 120.057 -1.068 . . . . 0.0 111.322 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.42 135.93 34.06 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.892 -1.358 . . . . 0.0 110.634 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.7 t -96.52 123.64 48.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.08 160.11 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.305 0 C-N-CA 117.416 -1.714 . . . . 0.0 110.707 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.9 128.36 54.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.502 -1.374 . . . . 0.0 107.547 175.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.2 mt -107.9 121.36 60.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.22 50.69 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.71 153.33 47.21 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 118.582 -1.247 . . . . 0.0 109.801 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.07 110.8 6.46 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 118.556 -1.257 . . . . 0.0 108.057 178.174 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.33 40.17 Favored Glycine 0 C--N 1.295 -1.726 0 C-N-CA 118.025 -2.035 . . . . 0.0 110.358 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.4 -40.6 82.85 Favored 'General case' 0 C--N 1.276 -2.612 0 CA-C-N 114.384 -0.908 . . . . 0.0 112.18 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.09 36.83 3.53 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 115.87 -2.332 . . . . 0.0 108.531 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.3 -33.6 65.71 Favored 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -174.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.475 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.59 27.24 Favored 'General case' 0 N--CA 1.509 2.511 0 O-C-N 119.585 -1.947 . . . . 0.0 110.981 -176.557 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.798 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.74 97.9 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.54 77.5 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.437 -1.705 . . . . 0.0 110.069 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.77 -42.24 89.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 CA-C-O 122.197 0.999 . . . . 0.0 109.291 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.86 -47.93 76.43 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 122.037 0.922 . . . . 0.0 108.734 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.798 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.76 -38.36 76.75 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.732 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.9 mt -75.51 -28.67 59.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.449 -1.407 . . . . 0.0 110.908 -174.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.48 71.27 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.413 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.27 63.01 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.535 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.2 tp -57.21 -45.27 83.96 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.066 -1.054 . . . . 0.0 110.523 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.39 -37.31 85.26 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.893 -1.129 . . . . 0.0 111.518 -177.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.83 61.6 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.039 -1.038 . . . . 0.0 110.223 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.32 45.86 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.554 -0.716 . . . . 0.0 111.35 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.02 125.51 12.27 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 124.315 2.007 . . . . 0.0 112.925 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.806 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 13.9 pt-20 . . . . . 0 C--N 1.277 -2.57 0 CA-C-N 111.128 -2.76 . . . . 0.0 110.128 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.691 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.3 mt . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.404 ' OE2' ' CZ ' ' D' ' 348' ' ' PHE . 84.2 tt0 -63.49 -50.08 71.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.922 0.391 . . . . 0.0 110.28 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -66.5 -36.78 83.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.334 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.494 HG11 HD11 ' A' ' 58' ' ' LEU . 73.2 t -63.45 -42.71 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.376 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 4' ' ' LEU . 76.3 t -60.34 -45.03 97.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.972 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -59.54 -41.66 90.58 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.36 -42.08 99.25 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.73 -43.26 97.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.26 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.16 -44.29 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.8 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.92 -44.23 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.985 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 47.0 t-20 -61.65 -45.47 93.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.811 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.4 p -60.03 -44.12 94.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.98 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.525 ' C ' ' NH1' ' D' ' 317' ' ' ARG . . . -63.91 -42.23 98.43 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.4 -43.38 97.71 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.492 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.38 -49.1 78.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.839 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.53 -45.77 92.61 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.7 m -55.0 -43.76 73.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.41 -41.03 98.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.65 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.16 -47.79 82.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.27 -41.88 89.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.63 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.13 91.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.698 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.71 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.683 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.78 -45.68 92.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.391 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -54.27 -43.59 71.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.84 -41.48 87.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.846 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.61 -43.79 93.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.779 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.85 -30.93 70.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.094 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -82.54 -5.0 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.465 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.64 15.26 78.33 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -96.56 81.47 3.22 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.763 0.316 . . . . 0.0 110.275 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -65.07 -33.6 76.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.653 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.39 79.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 110.741 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.25 80.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.319 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.84 82.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.584 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.53 -42.61 99.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.6 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.92 99.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.796 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.7 mtt -66.08 -41.8 90.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.463 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.452 ' O ' ' OG ' ' A' ' 44' ' ' SER . 72.3 mtm -63.77 -41.85 97.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.645 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.53 -45.18 94.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 110.578 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.84 -41.18 97.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.166 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 41' ' ' MET . 77.5 p -61.15 -46.0 92.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HE ' ' NH2' ' A' ' 88' ' ' ARG . 42.2 ttm180 -59.89 -42.67 94.34 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.3 ttp -60.17 -43.55 95.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.185 0.516 . . . . 0.0 110.639 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.21 -41.77 99.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.174 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.492 HD21 ' CB ' ' A' ' 18' ' ' ALA . 94.9 mt -65.24 -40.27 93.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.684 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.2 -41.34 96.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.269 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.86 -39.76 94.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.217 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.528 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.49 -45.33 79.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.41 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -62.43 -38.52 90.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.419 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.59 -43.07 99.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.305 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.48 -43.5 94.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.449 . . . . 0.0 110.05 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.526 ' OE1' ' CD1' ' A' ' 59' ' ' ILE . 1.1 tm0? -61.06 -42.36 98.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.297 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 m -56.21 -44.36 79.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.021 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -61.39 -37.36 83.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.497 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.494 HD11 HG11 ' A' ' 7' ' ' VAL . 96.5 mt -64.75 -28.32 69.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.689 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.526 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 96.0 mt -89.93 -33.03 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.597 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.945 0.402 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 p -128.31 161.76 28.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.52 -43.77 80.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.676 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.593 HG13 HG21 ' A' ' 8' ' ' VAL . 53.2 t -63.06 -44.12 99.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.903 0.382 . . . . 0.0 110.579 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.98 -41.66 98.28 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.975 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.7 -46.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.191 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -58.2 -46.62 85.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.791 0.329 . . . . 0.0 110.248 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.07 98.27 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.638 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.501 HE21 HD11 ' A' ' 59' ' ' ILE . 85.0 mt-30 -63.22 -40.04 96.34 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.196 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 83' ' ' THR . 46.4 tp -57.69 -46.57 84.14 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.444 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -67.82 -47.75 68.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.727 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.57 -46.0 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.805 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -63.0 -44.09 96.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.155 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.6 p -63.6 -48.22 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.049 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.9 t -61.73 -48.55 80.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.443 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.2 ttp -57.93 -48.24 80.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.512 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' B' ' 87' ' ' ALA . 8.8 tp -61.95 -45.25 94.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.876 0.369 . . . . 0.0 110.087 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.37 -47.54 85.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.811 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.411 ' NH2' ' HE ' ' A' ' 45' ' ' ARG . 3.3 tmt_? -58.85 -45.02 91.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.112 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.73 -44.26 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.109 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.0 mt -64.75 -43.99 91.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.168 0.508 . . . . 0.0 109.895 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.09 -42.01 91.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.306 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.424 HG23 ' SD ' ' A' ' 41' ' ' MET . 86.9 m -57.56 -45.77 84.73 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.639 -0.425 . . . . 0.0 109.869 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.438 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.2 mt-10 -62.81 -41.85 99.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.545 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.436 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 16.6 mt -60.32 -42.02 94.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.21 -42.84 94.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.516 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.583 ' OE2' ' NZ ' ' B' ' 30' ' ' LYS . 84.5 tt0 -60.65 -38.83 86.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.735 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 97' ' ' LEU . 39.0 mt -61.9 -41.09 97.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.888 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.6 m80 -59.67 -40.32 87.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.68 -41.44 81.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.201 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -62.71 -33.6 75.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.275 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.406 179.615 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.692 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.5 mt . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 120.592 0.234 . . . . 0.0 110.486 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.57 -50.0 71.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.982 0.42 . . . . 0.0 110.402 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -66.33 -36.87 84.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.226 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.476 HG11 HD11 ' B' ' 58' ' ' LEU . 71.0 t -63.55 -42.22 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.362 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.692 HG23 ' O ' ' B' ' 4' ' ' LEU . 75.5 t -60.88 -45.03 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.914 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.7 mtp -59.34 -41.8 90.02 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.49 -42.16 99.05 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 11' ' ' LEU . 85.9 mt -63.58 -43.05 98.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.798 0.333 . . . . 0.0 110.344 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.44 -44.51 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.722 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.54 -44.54 98.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.912 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.536 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 48.3 t-20 -61.41 -45.55 93.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.881 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -59.93 -43.9 94.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.135 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.22 -41.99 98.1 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.5 -43.34 97.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.479 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.34 -49.17 78.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.922 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.59 -45.51 93.69 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.6 m -55.15 -43.89 74.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.97 -41.73 98.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.793 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.76 81.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -59.3 -41.56 89.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.68 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.84 91.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.639 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.8 91.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.696 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.72 -45.83 92.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.328 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.2 -43.61 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.75 -41.34 86.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.903 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -43.88 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.698 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.583 ' NZ ' ' OE2' ' A' ' 96' ' ' GLU . 67.9 mttm -60.7 -31.0 70.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.05 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -82.44 -5.2 58.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.419 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.48 15.56 77.88 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -96.37 80.74 3.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.774 0.321 . . . . 0.0 110.34 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -64.55 -33.63 76.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.587 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.46 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.012 0.434 . . . . 0.0 110.737 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.03 79.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.442 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.83 82.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.577 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.52 -42.51 98.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.574 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.41 98.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.683 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.68 -41.54 92.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.516 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.46 ' O ' ' OG ' ' B' ' 44' ' ' SER . 72.6 mtm -63.95 -42.16 97.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.558 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.16 -45.36 93.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.458 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.79 -40.88 97.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.333 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.3 p -61.44 -46.09 91.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.49 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.43 ' HE ' ' NH2' ' B' ' 88' ' ' ARG . 42.2 ttm180 -59.83 -42.74 94.21 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 64.8 ttp -60.03 -44.03 94.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.277 0.561 . . . . 0.0 110.675 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.98 99.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.182 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' B' ' 18' ' ' ALA . 94.1 mt -64.97 -40.25 94.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.757 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.3 -41.45 96.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.38 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.77 -39.57 93.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.194 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.536 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.6 -45.31 79.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.415 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -62.54 -38.58 90.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.293 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' B' ' 53' ' ' LEU . 39.6 mt -61.41 -43.32 99.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.317 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -65.0 -44.03 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.141 0.496 . . . . 0.0 110.038 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.535 ' OE1' ' CD1' ' B' ' 59' ' ' ILE . 1.1 tm0? -60.75 -42.34 97.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.204 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -56.45 -44.11 80.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.947 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.4 -37.35 83.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.915 0.388 . . . . 0.0 110.527 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.476 HD11 HG11 ' B' ' 7' ' ' VAL . 96.3 mt -64.84 -28.27 69.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.692 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.535 ' CD1' ' OE1' ' B' ' 55' ' ' GLN . 96.2 mt -89.97 -32.92 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.73 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.841 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.94 0.4 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 13.3 p -127.94 164.33 22.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.5 -178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.72 -43.05 94.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.561 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.577 HG13 HG21 ' B' ' 8' ' ' VAL . 54.9 t -63.01 -43.39 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.561 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.21 -41.16 98.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.037 0.446 . . . . 0.0 110.945 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -60.06 -46.77 93.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.298 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.497 ' OE2' ' OE1' ' A' ' 78' ' ' GLN . 44.8 tp10 -58.29 -46.17 86.6 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.299 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.19 97.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.895 0.378 . . . . 0.0 110.433 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.515 ' OE1' ' OE2' ' C' ' 76' ' ' GLU . 84.5 mt-30 -63.11 -39.6 95.16 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.187 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.512 ' O ' HG23 ' B' ' 83' ' ' THR . 43.6 tp -58.13 -46.73 85.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.381 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -67.65 -47.92 68.19 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.796 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.23 -46.44 90.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.39 -44.34 96.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.256 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.512 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.6 p -63.62 -47.79 79.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.127 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -61.76 -48.56 80.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -58.17 -48.54 79.96 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.458 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' C' ' 87' ' ' ALA . 8.8 tp -61.63 -45.34 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.096 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -59.07 -47.93 83.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.905 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.43 ' NH2' ' HE ' ' B' ' 45' ' ' ARG . 3.2 tmt_? -58.36 -45.32 88.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.245 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.69 -44.13 97.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.117 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.85 -43.77 91.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.062 0.458 . . . . 0.0 109.994 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.1 -42.29 92.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.197 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.42 HG23 ' SD ' ' B' ' 41' ' ' MET . 90.1 m -57.3 -45.6 83.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.018 0.437 . . . . 0.0 109.835 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.441 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.3 mt-10 -63.16 -41.73 99.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.495 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.472 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 16.4 mt -60.33 -42.08 94.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.08 -42.91 95.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.52 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . 0.543 ' OE2' ' NZ ' ' C' ' 30' ' ' LYS . 84.5 tt0 -60.62 -38.87 86.19 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.96 -41.08 97.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.861 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.4 m80 -59.65 -39.8 85.58 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.15 -41.66 84.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.097 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -62.87 -33.4 75.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.224 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.403 HD21 HD21 ' C' ' 101' ' ' LEU . 84.2 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.409 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.703 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.5 mt . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.6 0.238 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.48 -49.63 72.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.407 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -66.88 -36.44 82.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.348 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.471 HG11 HD11 ' C' ' 58' ' ' LEU . 71.7 t -63.65 -42.26 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.364 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.703 HG23 ' O ' ' C' ' 4' ' ' LEU . 75.1 t -60.87 -45.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.986 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.13 -41.89 89.33 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.18 99.21 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.41 -43.08 98.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.41 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.47 -44.53 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.674 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.5 -44.38 98.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.083 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.532 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 47.6 t-20 -61.37 -45.8 92.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.826 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 79.6 p -59.79 -43.92 94.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.156 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.09 -42.08 98.23 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.63 -43.45 96.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.479 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.18 -49.07 78.31 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.9 -45.48 94.44 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 65.5 m -55.09 -44.18 74.62 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.58 -41.62 97.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.741 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.62 82.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.37 -41.72 89.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.428 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.29 90.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.47 93.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.59 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.89 -45.79 92.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.389 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -54.26 -43.65 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -58.79 -41.07 85.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.882 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.0 94.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.808 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OE2' ' B' ' 96' ' ' GLU . 68.0 mttm -60.7 -30.84 70.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.998 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -82.32 -5.2 58.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.487 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.62 15.48 77.86 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -96.53 80.78 3.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.781 0.324 . . . . 0.0 110.316 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -64.48 -33.79 76.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.537 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.34 -48.18 80.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.67 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.16 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.403 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -47.83 82.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.512 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.45 -42.76 99.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.629 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.0 99.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.94 -41.93 90.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.559 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.464 ' O ' ' OG ' ' C' ' 44' ' ' SER . 73.1 mtm -63.73 -41.94 97.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.603 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.25 -45.68 92.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.48 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.56 -40.79 97.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.332 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' C' ' 41' ' ' MET . 77.4 p -61.53 -45.85 92.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.494 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.424 ' HE ' ' NH2' ' C' ' 88' ' ' ARG . 42.2 ttm180 -59.99 -42.64 94.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.354 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.4 ttp -60.31 -43.9 95.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.316 0.579 . . . . 0.0 110.528 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.15 99.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.356 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' C' ' 18' ' ' ALA . 94.4 mt -64.63 -40.86 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.705 179.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -60.8 -41.54 95.84 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.364 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.6 -39.84 94.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.989 0.423 . . . . 0.0 110.065 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.532 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.44 -45.65 79.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.434 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.0 -38.96 90.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.4 -42.86 99.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.291 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.7 t -65.48 -43.8 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.963 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.526 ' OE1' ' CD1' ' C' ' 59' ' ' ILE . 1.1 tm0? -60.9 -42.58 98.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.313 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -55.93 -44.28 78.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.195 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.24 -37.39 82.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.485 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.471 HD11 HG11 ' C' ' 7' ' ' VAL . 96.2 mt -64.76 -28.16 69.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.526 ' CD1' ' OE1' ' C' ' 55' ' ' GLN . 96.3 mt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.227 -0.126 0 CA-C-O 121.089 0.471 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.41 -44.4 92.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.698 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.547 HG13 HG21 ' C' ' 8' ' ' VAL . 54.6 t -63.03 -44.21 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 130.087 3.355 . . . . 0.0 110.576 -177.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.9 -40.89 97.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.044 0.449 . . . . 0.0 110.992 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -60.4 -47.25 93.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.21 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.515 ' OE2' ' OE1' ' B' ' 78' ' ' GLN . 45.2 tp10 -58.55 -46.03 87.71 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.23 97.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.427 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . 0.487 HE21 HD11 ' C' ' 59' ' ' ILE . 84.2 mt-30 -63.11 -40.26 97.1 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.302 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.522 ' O ' HG23 ' C' ' 83' ' ' THR . 43.2 tp -57.24 -47.13 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.457 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -67.35 -48.15 68.36 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.737 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.16 -46.12 91.85 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.858 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.7 -44.13 97.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.306 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.522 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.5 p -63.81 -47.85 79.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.21 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -61.91 -48.23 81.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.589 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -58.42 -48.25 81.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.501 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -61.88 -45.17 94.91 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.146 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . 0.573 ' HB2' HD11 ' B' ' 86' ' ' LEU . . . -59.26 -47.66 84.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.894 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.424 ' NH2' ' HE ' ' C' ' 45' ' ' ARG . 3.3 tmt_? -58.48 -45.55 88.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.232 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.32 -44.37 96.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.133 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.59 -43.99 92.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.135 0.493 . . . . 0.0 110.03 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.2 -42.01 91.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.358 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.42 HG23 ' SD ' ' C' ' 41' ' ' MET . 91.2 m -57.46 -45.75 84.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.123 0.487 . . . . 0.0 109.947 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.06 -41.81 99.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.469 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.481 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 16.6 mt -59.89 -42.43 93.79 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.8 mt -60.83 -42.94 94.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.609 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.37 -38.97 85.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.755 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.94 -41.18 97.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.91 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.481 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 72.0 m80 -59.5 -39.77 84.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.743 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.32 -41.3 84.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.114 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -62.97 -33.57 75.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.195 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . 0.403 HD21 HD21 ' B' ' 101' ' ' LEU . 85.9 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.354 179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 121.849 0.833 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 142.99 36.72 Favored 'General case' 0 C--N 1.287 -2.145 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.99 156.31 38.59 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.994 -1.066 . . . . 0.0 109.561 179.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.16 28.49 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.33 18.94 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.047 -1.033 . . . . 0.0 108.361 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.33 19.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.77 136.69 36.95 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.194 0.997 . . . . 0.0 110.083 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -85.04 114.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.86 -4.34 19.34 Favored 'General case' 0 C--N 1.265 -3.088 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.812 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.78 85.76 Favored Pre-proline 0 N--CA 1.5 2.033 0 O-C-N 119.657 -1.902 . . . . 0.0 110.618 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -45.45 -47.76 12.65 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 124.777 3.651 . . . . 0.0 114.116 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.628 HD21 ' CD2' ' D' ' 315' ' ' HIS . 42.3 p30 -102.11 27.66 6.45 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 116.026 -2.269 . . . . 0.0 108.758 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.43 -142.24 46.99 Favored Glycine 0 N--CA 1.498 2.777 0 C-N-CA 117.646 -2.216 . . . . 0.0 109.584 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.2 tp -93.35 81.18 4.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.333 . . . . 0.0 109.555 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.628 ' CD2' HD21 ' D' ' 312' ' ' ASN . 2.9 p80 -79.21 177.16 9.03 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 117.885 -1.526 . . . . 0.0 112.161 -178.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.476 HG23 ' H ' ' D' ' 316' ' ' THR . 17.9 p -35.72 -65.73 0.23 Allowed 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -176.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.44 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 13.9 ttt-85 -56.26 -56.35 32.37 Favored Pre-proline 0 N--CA 1.493 1.705 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.51 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.06 -32.13 64.76 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.365 1.376 . . . . 0.0 111.541 -177.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.437 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.02 -38.84 86.66 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.251 -0.906 . . . . 0.0 109.492 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.466 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.92 -39.71 72.54 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.97 -39.35 93.93 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.959 -1.496 . . . . 0.0 109.508 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.77 -45.34 93.14 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 122.564 1.173 . . . . 0.0 108.633 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.437 HG23 ' O ' ' D' ' 319' ' ' ALA . 56.0 t -62.66 -42.16 94.98 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.264 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.677 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.501 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.5 mttt -63.93 -40.26 96.04 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.317 -0.864 . . . . 0.0 109.781 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.536 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.63 79.94 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.46 -0.775 . . . . 0.0 109.617 177.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.93 91.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.594 -1.316 . . . . 0.0 109.47 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.41 -16.19 44.21 Favored 'General case' 0 N--CA 1.511 2.6 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.55 86.07 Favored Glycine 0 N--CA 1.48 1.583 0 O-C-N 119.88 -1.762 . . . . 0.0 109.348 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.412 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.51 143.31 32.9 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.287 -1.713 . . . . 0.0 110.002 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.8 p -75.58 -30.04 59.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.244 -0.91 . . . . 0.0 112.34 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.8 158.58 10.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 119.842 -1.786 . . . . 0.0 112.75 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.582 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.32 35.44 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 102.862 -3.014 . . . . 0.0 102.862 171.256 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.71 136.65 60.18 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.487 0 CA-C-O 122.185 0.993 . . . . 0.0 109.301 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.1 m -125.06 143.27 51.0 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-O 123.123 1.44 . . . . 0.0 109.933 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.1 t -108.14 129.92 61.57 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.702 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 173.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.44 119.6 26.49 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.851 -1.156 . . . . 0.0 108.917 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.62 122.58 39.18 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.901 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.73 39.01 24.47 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.866 -1.146 . . . . 0.0 112.781 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.1 83.51 Favored Glycine 0 N--CA 1.501 3.029 0 O-C-N 119.912 -1.743 . . . . 0.0 112.549 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.94 136.26 54.59 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.78 158.59 32.96 Favored 'General case' 0 C--N 1.276 -2.588 0 CA-C-O 123.796 1.76 . . . . 0.0 112.399 -176.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.46 31.51 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 112.436 -2.166 . . . . 0.0 108.594 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.62 135.86 48.74 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 105.634 -1.988 . . . . 0.0 105.634 173.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.446 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.94 -6.78 47.54 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.701 -1.249 . . . . 0.0 110.753 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.46 12.98 31.44 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.665 -1.272 . . . . 0.0 109.367 -177.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 97.3 p -133.09 104.23 6.41 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 122.213 1.006 . . . . 0.0 110.127 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . 0.536 HD22 ' CE ' ' A' ' 9' ' ' MET . 66.0 tp -57.27 -37.9 73.08 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.964 178.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -58.9 -51.29 70.65 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.565 -1.334 . . . . 0.0 113.086 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.08 -32.53 70.65 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 119.589 -1.945 . . . . 0.0 109.197 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.67 -33.8 75.79 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.954 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -67.69 -10.47 52.7 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.588 -0.695 . . . . 0.0 109.945 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.8 p -89.7 -7.78 53.82 Favored 'General case' 0 N--CA 1.503 2.194 0 C-N-CA 118.089 -1.445 . . . . 0.0 110.917 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.8 mt -93.31 159.36 15.3 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.177 -0.952 . . . . 0.0 110.135 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.82 2.96 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 106.992 -2.443 . . . . 0.0 106.992 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.0 mt -119.56 47.3 1.74 Allowed 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.719 -1.46 . . . . 0.0 107.366 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.848 HG22 HG21 ' C' ' 56' ' ' THR . 4.0 p -81.41 172.52 13.44 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.77 -1.172 . . . . 0.0 109.184 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.63 140.92 57.24 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.897 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.28 78.99 Favored Glycine 0 N--CA 1.5 2.941 0 C-N-CA 119.978 -1.106 . . . . 0.0 111.378 177.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.6 m -84.37 135.85 34.12 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.87 -1.371 . . . . 0.0 110.66 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.48 123.72 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.495 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.08 160.1 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.326 0 C-N-CA 117.409 -1.716 . . . . 0.0 110.69 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 88.5 m -108.92 128.29 54.8 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.549 -1.344 . . . . 0.0 107.681 175.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.86 121.35 60.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.31 50.69 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.39 47.15 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 118.48 -1.288 . . . . 0.0 109.726 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.78 6.43 Favored 'General case' 0 C--N 1.287 -2.122 0 C-N-CA 118.535 -1.266 . . . . 0.0 108.059 178.201 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.16 -170.31 40.09 Favored Glycine 0 C--N 1.296 -1.687 0 C-N-CA 118.011 -2.042 . . . . 0.0 110.365 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.68 82.87 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.356 -0.922 . . . . 0.0 112.169 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.05 36.86 3.51 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 115.874 -2.33 . . . . 0.0 108.538 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.6 65.82 Favored 'General case' 0 N--CA 1.521 3.078 0 N-CA-C 116.863 2.171 . . . . 0.0 116.863 -174.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.441 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.57 27.32 Favored 'General case' 0 N--CA 1.509 2.498 0 O-C-N 119.503 -1.998 . . . . 0.0 110.987 -176.541 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.758 ' NZ ' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.6 -40.7 97.59 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.5 77.65 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 117.463 -1.695 . . . . 0.0 110.066 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.5 t -66.88 -42.25 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-O 122.148 0.975 . . . . 0.0 109.198 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.89 76.55 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-O 122.089 0.947 . . . . 0.0 108.774 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.758 ' CE1' ' NZ ' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.7 -38.44 76.96 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.69 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' D' ' 377' ' ' LEU . 81.0 mt -75.55 -28.61 59.1 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.397 -1.44 . . . . 0.0 110.911 -174.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.43 70.57 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.426 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.96 -49.23 62.98 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.536 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.2 -45.3 83.92 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.518 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.495 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.31 -37.43 85.52 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.832 -1.168 . . . . 0.0 111.554 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.81 -31.92 61.85 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.079 -1.013 . . . . 0.0 110.275 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.79 -32.33 46.39 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.534 -0.729 . . . . 0.0 111.367 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.15 125.53 12.51 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 124.321 2.01 . . . . 0.0 112.939 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.812 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.1 mt-10 . . . . . 0 C--N 1.277 -2.573 0 CA-C-N 111.133 -2.758 . . . . 0.0 110.148 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.8 mt . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 6' ' ' GLU . 15.0 pt-20 -65.08 -43.8 90.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.886 0.374 . . . . 0.0 110.264 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.508 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 97.5 mt-10 -66.91 -34.86 78.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.239 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.41 HG11 HD11 ' A' ' 58' ' ' LEU . 75.8 t -63.24 -43.11 98.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.638 HG21 HG13 ' A' ' 73' ' ' VAL . 80.5 t -60.98 -43.99 97.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.974 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.536 ' CE ' HD22 ' D' ' 347' ' ' LEU . 93.3 mtp -58.86 -42.27 89.02 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.07 -41.36 97.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.35 -43.1 98.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.373 . . . . 0.0 110.162 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.07 -44.03 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.713 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.501 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 90.1 mt -63.58 -44.28 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.941 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.89 -46.36 89.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.803 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.2 m -60.12 -44.63 94.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.003 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.9 -42.66 99.63 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.15 -43.36 98.52 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.453 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -57.33 -49.3 76.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.859 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.64 -46.15 91.4 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -54.78 -44.41 73.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.31 -42.88 99.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.688 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.661 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -58.57 -50.16 74.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.53 -41.6 90.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.631 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.78 92.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.764 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.69 90.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.661 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.28 -45.12 95.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.446 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.48 -42.17 74.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.84 -41.61 96.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.83 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.47 93.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.667 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.27 -29.58 69.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.164 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.65 -4.1 53.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.26 14.26 74.77 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -97.25 80.59 2.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.76 0.314 . . . . 0.0 110.28 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -64.94 -34.67 78.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.693 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.27 80.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.046 0.451 . . . . 0.0 110.765 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.32 80.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.38 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.55 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.94 -42.05 99.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.86 0.362 . . . . 0.0 110.6 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.69 99.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.9 mmm -66.25 -40.33 90.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.45 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.554 ' HE1' HG23 ' A' ' 92' ' ' THR . 91.3 mtp -63.15 -41.21 99.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.597 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.52 -43.82 97.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.049 0.452 . . . . 0.0 110.597 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -64.03 -40.85 97.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.266 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.2 p -62.0 -46.43 89.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.27 -42.7 95.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.305 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.6 mtp -61.36 -42.22 98.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.229 0.538 . . . . 0.0 110.533 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.42 90.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.202 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.453 HD21 ' CB ' ' A' ' 18' ' ' ALA . 94.3 mt -65.5 -40.12 92.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 49' ' ' ASN . 50.6 t-20 -60.99 -42.49 98.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.34 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.89 -40.3 94.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.193 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.14 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.431 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -60.22 -40.0 88.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 53' ' ' LEU . 40.1 mt -60.48 -44.28 96.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.371 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.5 t -66.48 -42.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 109.976 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.473 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 67.5 tp60 -60.82 -44.55 96.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 m -56.11 -43.01 77.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.054 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -61.13 -39.93 91.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.485 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.41 HD11 HG11 ' A' ' 7' ' ' VAL . 97.7 mt -68.72 -39.09 80.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.713 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -67.95 -39.66 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.889 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 -179.503 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.462 0.149 0 CA-C-O 120.886 0.374 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 75' ' ' VAL . 95.3 p -127.74 159.25 35.36 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.34 -43.04 88.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.644 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.638 HG13 HG21 ' A' ' 8' ' ' VAL . 47.7 t -63.41 -48.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.841 0.353 . . . . 0.0 110.531 -179.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 74' ' ' LEU . 96.2 mt -63.3 -40.73 98.15 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.032 0.444 . . . . 0.0 110.896 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 71' ' ' SER . 55.0 t -59.98 -46.95 93.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.169 -179.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -58.44 -46.34 86.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.837 0.351 . . . . 0.0 110.345 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.473 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.79 -41.95 95.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.606 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.17 -41.53 99.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.16 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 83' ' ' THR . 46.7 tp -57.23 -46.65 82.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.384 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -66.92 -46.94 73.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.693 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.35 -46.12 91.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.841 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.43 -44.17 97.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.169 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.3 p -63.25 -45.9 89.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.114 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -63.1 -49.8 73.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.462 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.7 tpp -57.14 -48.52 78.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.503 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.1 -44.13 97.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.015 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.75 82.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.861 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -58.58 -45.4 89.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.188 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -60.83 -44.69 96.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.069 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.98 -42.14 97.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.19 0.519 . . . . 0.0 109.908 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.661 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 78.4 mt -60.89 -42.33 92.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.554 HG23 ' HE1' ' A' ' 41' ' ' MET . 72.7 m -57.32 -46.04 83.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.058 0.456 . . . . 0.0 109.882 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.497 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.2 mt-10 -63.79 -43.21 97.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 0.0 109.629 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 75.5 mt -59.85 -43.82 94.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 90.9 mt -61.21 -42.96 95.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.523 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.537 ' CD ' ' NZ ' ' B' ' 30' ' ' LYS . 81.5 tt0 -60.86 -39.77 90.41 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 97' ' ' LEU . 36.5 mt -62.22 -41.66 98.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.893 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 69.6 m80 -59.79 -40.1 87.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -61.74 -39.57 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.25 -39.36 93.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.217 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.363 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.427 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.2 mt . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.512 0.196 . . . . 0.0 110.493 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' B' ' 6' ' ' GLU . 15.0 pt-20 -64.86 -44.08 90.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.967 0.413 . . . . 0.0 110.381 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.513 ' N ' ' CG ' ' B' ' 5' ' ' GLU . 97.3 mt-10 -66.45 -35.02 79.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.267 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.22 -43.35 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.352 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.621 HG21 HG13 ' B' ' 73' ' ' VAL . 82.1 t -60.76 -43.69 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.845 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.8 mtp -59.2 -42.18 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.23 -41.41 96.83 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 11' ' ' LEU . 37.6 mt -63.03 -43.27 99.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.336 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.14 -44.29 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.775 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.3 -44.13 98.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.976 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.421 HD22 ' HA ' ' B' ' 14' ' ' ASN . 7.7 m120 -61.85 -46.42 89.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.859 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 70.3 m -59.98 -44.68 94.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.117 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.45 99.68 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.36 -43.16 98.46 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.448 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.47 -49.63 75.66 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.868 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.16 -46.42 89.74 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -54.79 -44.25 73.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.44 -42.66 98.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.747 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.659 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -58.76 -50.21 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.44 -41.52 89.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.695 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.17 93.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.748 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.4 -42.79 87.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.707 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.41 -45.26 95.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.32 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.25 -42.07 72.98 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.98 -41.39 96.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.843 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -42.74 94.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.692 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.537 ' NZ ' ' CD ' ' A' ' 96' ' ' GLU . 67.7 mttm -61.01 -29.62 69.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.037 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -80.86 -3.98 53.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.386 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.15 14.38 74.78 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.31 80.52 2.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.787 0.327 . . . . 0.0 110.422 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -64.97 -34.54 78.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.599 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.3 80.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.084 0.469 . . . . 0.0 110.777 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.36 -35.49 81.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.388 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -47.26 84.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.55 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.61 -42.29 99.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.85 0.357 . . . . 0.0 110.536 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.75 99.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 93.0 mmm -66.15 -40.47 90.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.493 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.573 ' HE1' HG23 ' B' ' 92' ' ' THR . 91.6 mtp -62.95 -41.47 99.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.602 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.17 -44.23 97.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.48 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.323 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.0 p -61.79 -46.46 89.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.503 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.4 ' HB2' ' NH2' ' B' ' 88' ' ' ARG . 61.9 ttp180 -60.31 -42.63 95.95 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.262 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.41 -42.54 98.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.253 0.549 . . . . 0.0 110.654 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.45 92.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.107 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.448 HD21 ' CB ' ' B' ' 18' ' ' ALA . 93.0 mt -65.57 -40.31 92.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.721 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 50.3 t-20 -60.76 -42.82 98.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.31 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.71 -40.12 94.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.221 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.82 75.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.466 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.74 -39.92 90.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.287 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' B' ' 53' ' ' LEU . 40.7 mt -60.42 -44.29 95.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.333 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.36 -42.92 91.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.034 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.477 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 67.5 tp60 -60.55 -44.34 96.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.9 m -56.41 -43.27 79.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.972 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.69 -40.39 92.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.915 0.388 . . . . 0.0 110.514 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 58' ' ' LEU . 97.2 mt -68.26 -39.33 82.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.652 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -67.85 -39.8 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.735 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.361 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.54 ' O ' HG23 ' B' ' 75' ' ' VAL . 90.4 p -127.14 161.22 28.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 15.9 mt -60.44 -42.96 97.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.578 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.621 HG13 HG21 ' B' ' 8' ' ' VAL . 46.2 t -62.61 -47.89 90.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.636 -177.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 98.6 mt -63.85 -40.15 95.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 71' ' ' SER . 55.6 t -60.23 -47.15 93.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.326 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.54 -46.29 87.13 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.301 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.477 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -64.57 -42.0 95.91 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.879 0.371 . . . . 0.0 110.488 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.15 -41.53 99.28 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.219 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.454 ' O ' HG23 ' B' ' 83' ' ' THR . 48.4 tp -57.27 -46.13 83.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.383 -179.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -67.27 -47.06 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.67 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.51 -45.71 93.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.867 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.44 -44.1 97.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.252 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.454 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.9 p -63.62 -45.92 88.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.134 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -62.88 -49.83 73.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.529 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 8.2 tpp -57.2 -48.54 78.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.463 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.22 -44.09 97.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 0.0 110.132 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.51 83.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.916 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.4 ' NH2' ' HB2' ' B' ' 45' ' ' ARG . 68.8 ttt-85 -59.0 -45.53 90.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.253 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.154 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.04 -42.25 97.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.155 0.502 . . . . 0.0 110.072 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.659 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 76.3 mt -60.88 -42.4 92.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.222 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.573 HG23 ' HE1' ' B' ' 41' ' ' MET . 70.4 m -57.32 -46.34 83.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.075 0.464 . . . . 0.0 109.922 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.485 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -63.26 -43.3 98.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.532 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.575 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.9 mt -59.82 -43.69 94.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 90.1 mt -61.56 -42.92 95.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.545 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . 0.531 ' CD ' ' NZ ' ' C' ' 30' ' ' LYS . 82.0 tt0 -60.6 -40.02 90.25 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.9 mt -62.12 -41.73 98.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.875 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 69.6 m80 -59.58 -40.2 86.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.806 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.57 -39.7 92.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.111 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.43 -39.43 93.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.109 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.369 179.811 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.43 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.3 mt . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.609 0.242 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' C' ' 6' ' ' GLU . 14.9 pt-20 -64.95 -43.76 91.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 0.0 110.438 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . 0.513 ' N ' ' CG ' ' C' ' 5' ' ' GLU . 97.7 mt-10 -66.96 -34.72 78.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.27 -43.23 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.372 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.59 HG21 HG13 ' C' ' 73' ' ' VAL . 81.9 t -60.75 -44.09 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.967 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.6 mtp -58.89 -42.33 89.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.03 -41.54 97.17 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.91 -43.04 99.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.345 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.42 -44.32 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.65 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.27 -44.18 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.018 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.409 HD22 ' HA ' ' C' ' 14' ' ' ASN . 7.4 m120 -61.82 -46.43 89.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.816 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 71.2 m -59.95 -44.86 94.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.14 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.78 -42.46 99.68 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.16 -43.34 98.55 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.453 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -57.26 -50.06 74.09 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -59.85 -46.64 88.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -54.62 -44.38 73.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.14 -42.58 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.734 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.674 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.02 -49.8 76.52 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.92 -41.4 91.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.53 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.6 93.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.43 90.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.523 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.55 -44.82 96.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.408 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.85 -42.04 75.21 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.01 -41.35 96.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.93 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.25 92.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.842 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . 0.531 ' NZ ' ' CD ' ' B' ' 96' ' ' GLU . 67.6 mttm -61.72 -29.55 70.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.032 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.47 -4.42 53.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.444 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 14.66 73.49 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.53 80.06 2.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.761 0.315 . . . . 0.0 110.309 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -64.56 -34.46 78.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.53 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.4 79.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.108 0.48 . . . . 0.0 110.725 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.57 81.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.382 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.38 -47.41 84.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.505 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.51 -42.61 99.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.575 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.6 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 92.8 mmm -66.33 -40.69 90.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.606 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.583 ' HE1' HG23 ' C' ' 92' ' ' THR . 91.7 mtp -62.73 -41.64 99.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.678 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.18 -44.24 97.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.49 -41.23 98.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.349 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.2 p -61.8 -46.22 90.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.563 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.45 -42.66 96.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.38 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -61.36 -42.6 98.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.33 0.586 . . . . 0.0 110.497 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.66 92.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.34 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.453 HD21 ' CB ' ' C' ' 18' ' ' ALA . 94.1 mt -65.3 -40.57 93.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.721 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 49.3 t-20 -60.97 -42.32 98.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.283 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.76 -40.53 95.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.043 0.449 . . . . 0.0 110.065 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.02 -45.95 75.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.434 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.403 ' NE2' ' HA ' ' D' ' 312' ' ' ASN . 85.0 t60 -60.58 -39.77 89.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.284 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.78 -44.33 96.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.262 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.5 t -66.2 -42.63 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.97 0.415 . . . . 0.0 109.945 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.455 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 67.3 tp60 -60.8 -44.62 96.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.271 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.848 HG21 HG22 ' D' ' 356' ' ' THR . 15.5 m -56.18 -43.19 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.103 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -60.71 -40.13 91.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.905 0.384 . . . . 0.0 110.526 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.44 -39.4 81.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.411 ' CG1' HD22 ' C' ' 74' ' ' LEU . 97.1 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.833 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.547 ' O ' HG23 ' C' ' 75' ' ' VAL . 89.2 p . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 121.018 0.437 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.63 -42.16 99.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.722 -177.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.59 HG13 HG21 ' C' ' 8' ' ' VAL . 46.4 t -63.73 -48.27 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 130.109 3.364 . . . . 0.0 110.68 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.411 HD22 ' CG1' ' C' ' 59' ' ' ILE . 98.1 mt -65.9 -39.78 90.91 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.015 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.547 HG23 ' O ' ' C' ' 71' ' ' SER . 55.3 t -60.71 -47.81 91.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.265 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -58.11 -46.49 85.48 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.455 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -64.62 -42.01 95.8 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.92 0.391 . . . . 0.0 110.413 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.06 -41.5 99.47 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.243 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.449 ' O ' HG23 ' C' ' 83' ' ' THR . 48.2 tp -57.35 -46.3 83.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.464 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -67.2 -46.55 73.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.776 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.08 -45.54 93.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.831 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -61.79 -43.45 98.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.305 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.449 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.5 p -64.24 -45.66 87.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.197 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -62.91 -49.7 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.7 tpp -57.38 -48.27 79.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.511 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.5 -43.93 97.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.145 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.35 -48.01 81.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.921 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -58.53 -45.47 88.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.293 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -60.51 -44.83 95.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.956 0.408 . . . . 0.0 110.178 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.85 -42.29 97.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.159 0.504 . . . . 0.0 110.033 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.674 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 78.0 mt -60.73 -42.52 92.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.346 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.583 HG23 ' HE1' ' C' ' 41' ' ' MET . 70.1 m -57.28 -46.13 83.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.014 0.435 . . . . 0.0 109.947 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.63 -43.39 96.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.463 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.577 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 76.5 mt -59.47 -43.86 93.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . 0.457 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 89.9 mt -61.33 -43.03 95.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.624 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.52 -39.74 88.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.773 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' C' ' 97' ' ' LEU . 35.7 mt -62.31 -41.66 98.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.918 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 70.6 m80 -59.78 -40.28 87.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.725 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -61.4 -39.7 91.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.106 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.28 -39.28 93.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.223 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.9 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.365 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.805 0.812 . . . . 0.0 108.985 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.81 143.09 36.68 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.29 38.51 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.036 -1.04 . . . . 0.0 109.567 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.15 28.45 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.38 18.88 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.054 -1.029 . . . . 0.0 108.383 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.84 144.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.59 37.02 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.102 0.953 . . . . 0.0 110.13 177.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.25 24.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.77 -4.34 19.46 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.805 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.81 85.81 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 119.668 -1.895 . . . . 0.0 110.558 178.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.44 -47.77 12.62 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 124.75 3.633 . . . . 0.0 114.101 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.528 ' ND2' ' CD2' ' C' ' 52' ' ' HIS . 99.6 m-20 -102.14 27.58 6.54 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 116.024 -2.27 . . . . 0.0 108.766 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.79 -143.85 46.62 Favored Glycine 0 N--CA 1.496 2.689 0 C-N-CA 117.682 -2.199 . . . . 0.0 109.559 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' D' ' 314' ' ' LEU . 13.3 tp -88.98 75.88 7.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.923 -1.34 . . . . 0.0 109.501 -177.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.636 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.8 p80 -69.97 175.87 4.13 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 117.921 -1.511 . . . . 0.0 112.19 -178.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 55.0 p -38.96 -67.04 0.23 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.749 HH21 ' NE2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -56.36 -52.24 74.7 Favored Pre-proline 0 N--CA 1.492 1.656 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.546 -177.369 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.7 Cg_endo -64.33 -32.14 61.77 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 120.668 0.912 . . . . 0.0 111.467 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.474 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.0 -38.84 86.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.255 -0.903 . . . . 0.0 109.448 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.96 -39.73 72.4 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -63.89 -39.46 94.24 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.981 -1.488 . . . . 0.0 109.479 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.2 t80 -62.61 -45.32 93.44 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 122.59 1.186 . . . . 0.0 108.711 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.474 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.6 t -62.75 -42.22 95.39 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.667 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.78 -40.32 96.4 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.277 -0.889 . . . . 0.0 109.833 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.535 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.69 80.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.423 -0.798 . . . . 0.0 109.591 177.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.93 91.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.599 -1.313 . . . . 0.0 109.477 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.41 -16.09 43.21 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 121.288 -0.883 . . . . 0.0 113.351 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.01 -10.54 86.21 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 119.884 -1.76 . . . . 0.0 109.272 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.403 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.29 32.89 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.26 -1.729 . . . . 0.0 110.088 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.62 -29.99 59.37 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.227 -0.921 . . . . 0.0 112.346 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.57 10.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 119.768 -1.832 . . . . 0.0 112.804 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.22 35.38 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 102.865 -3.013 . . . . 0.0 102.865 171.219 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.75 136.55 60.47 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.405 0 CA-C-O 122.195 0.998 . . . . 0.0 109.303 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.9 143.28 50.93 Favored 'General case' 0 C--N 1.286 -2.174 0 CA-C-O 123.129 1.442 . . . . 0.0 109.957 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.4 t -108.17 129.97 61.51 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.693 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.5 m -127.48 119.59 26.43 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.881 -1.137 . . . . 0.0 108.887 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.62 39.31 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.861 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.7 38.92 24.11 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.87 -1.144 . . . . 0.0 112.761 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.74 11.03 83.44 Favored Glycine 0 N--CA 1.501 3.02 0 O-C-N 119.951 -1.718 . . . . 0.0 112.491 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.89 136.2 54.59 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 105.283 -2.118 . . . . 0.0 105.283 177.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.74 158.47 33.2 Favored 'General case' 0 C--N 1.275 -2.645 0 CA-C-O 123.847 1.784 . . . . 0.0 112.449 -176.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.62 151.4 31.47 Favored 'General case' 0 C--N 1.279 -2.499 0 CA-C-N 112.474 -2.148 . . . . 0.0 108.63 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.56 136.0 48.95 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 173.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.04 -6.74 47.57 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.73 -1.231 . . . . 0.0 110.723 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.5 12.99 31.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.678 -1.264 . . . . 0.0 109.396 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 38.4 t -133.12 104.19 6.39 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.203 1.001 . . . . 0.0 110.046 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . 0.409 HD22 ' CE ' ' A' ' 9' ' ' MET . 63.4 tp -57.33 -37.81 73.11 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.926 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -58.88 -51.39 70.24 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.581 -1.325 . . . . 0.0 113.075 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.38 70.44 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.515 -1.991 . . . . 0.0 109.238 -178.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.83 -33.66 75.71 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.966 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -67.72 -10.45 52.61 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 121.683 -0.636 . . . . 0.0 109.954 -177.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 37.8 p -89.82 -7.63 53.91 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 118.069 -1.452 . . . . 0.0 110.936 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.42 159.3 15.31 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.21 -0.931 . . . . 0.0 110.212 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.78 2.96 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 106.969 -2.452 . . . . 0.0 106.969 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 90.3 mt -119.56 47.45 1.71 Allowed 'General case' 0 C--N 1.309 -1.181 0 O-C-N 120.749 -1.442 . . . . 0.0 107.383 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.429 HG22 HG21 ' C' ' 56' ' ' THR . 58.3 p -81.45 172.51 13.43 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.791 -1.163 . . . . 0.0 109.229 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -60.69 140.87 57.34 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 119.339 -0.944 . . . . 0.0 109.839 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.18 78.92 Favored Glycine 0 N--CA 1.501 3.013 0 C-N-CA 119.976 -1.106 . . . . 0.0 111.316 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.41 135.91 34.08 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 120.918 -1.342 . . . . 0.0 110.656 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.5 123.73 48.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.493 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.16 160.13 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.322 0 C-N-CA 117.403 -1.719 . . . . 0.0 110.634 178.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.99 128.36 54.88 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 120.501 -1.374 . . . . 0.0 107.598 175.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.82 121.41 60.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 176.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.27 50.71 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -179.524 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.38 47.15 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.759 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.79 6.43 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 118.55 -1.26 . . . . 0.0 108.009 178.183 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.27 40.15 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 117.989 -2.053 . . . . 0.0 110.347 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.46 -40.48 82.78 Favored 'General case' 0 C--N 1.277 -2.569 0 CA-C-N 114.408 -0.896 . . . . 0.0 112.165 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.06 36.7 3.58 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 115.918 -2.313 . . . . 0.0 108.538 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.39 -33.52 65.84 Favored 'General case' 0 N--CA 1.523 3.18 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 -174.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.461 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.64 27.42 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 119.586 -1.947 . . . . 0.0 110.958 -176.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.831 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.71 97.8 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.5 77.6 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.48 -1.688 . . . . 0.0 109.995 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.3 t -66.77 -42.26 89.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.255 1.026 . . . . 0.0 109.268 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.88 -47.89 76.57 Favored 'General case' 0 C--N 1.287 -2.123 0 CA-C-O 122.081 0.943 . . . . 0.0 108.757 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.831 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.74 -38.37 76.8 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.748 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.8 mt -75.55 -28.66 59.1 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.421 -1.425 . . . . 0.0 110.93 -174.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.51 71.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.85 -49.3 62.89 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.535 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.18 -45.24 83.86 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.536 177.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.493 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.36 -37.36 85.36 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.845 -1.159 . . . . 0.0 111.549 -177.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.86 61.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.112 -0.993 . . . . 0.0 110.248 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.91 -32.29 45.65 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.491 -0.756 . . . . 0.0 111.359 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.06 125.52 12.36 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 124.376 2.036 . . . . 0.0 112.843 178.648 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.805 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.0 mm-40 . . . . . 0 C--N 1.277 -2.554 0 CA-C-N 111.163 -2.744 . . . . 0.0 110.088 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.633 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.2 mt . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -63.29 -48.63 77.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.01 0.433 . . . . 0.0 110.31 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.95 -37.33 84.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.243 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.93 -43.32 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.655 HG21 HG13 ' A' ' 73' ' ' VAL . 78.3 t -61.01 -44.87 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.947 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.409 ' CE ' HD22 ' D' ' 347' ' ' LEU . 90.8 mtp -58.74 -41.98 87.73 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.67 -41.54 97.68 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 mt -63.18 -43.36 98.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.187 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.28 -43.98 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.804 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.552 HD11 ' HB1' ' D' ' 320' ' ' ALA . 89.2 mt -63.72 -44.22 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.947 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -61.74 -45.91 91.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.84 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.3 m -60.77 -44.25 97.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.997 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.5 -42.46 97.5 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.749 ' NE2' HH21 ' D' ' 317' ' ' ARG . 91.3 mm-40 -63.63 -45.67 89.18 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.56 80.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.837 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -59.99 -45.94 91.07 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 m -57.1 -43.97 82.78 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.73 -42.18 99.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.693 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.572 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -56.64 -48.66 77.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -59.48 -39.44 83.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.63 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.95 95.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.768 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.26 91.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.595 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.459 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -56.12 -41.51 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.1 -41.03 97.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.74 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.39 97.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.71 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.48 -29.1 69.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.02 -3.75 49.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.483 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.79 14.58 67.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.7 79.37 2.23 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.785 0.326 . . . . 0.0 110.259 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -65.2 -34.26 77.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.663 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.5 78.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.055 0.455 . . . . 0.0 110.745 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -35.4 80.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.52 84.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.556 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.51 -41.62 98.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.634 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.25 93.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.793 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.3 mmm -65.24 -40.74 94.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.516 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.17 -41.63 99.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.628 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -63.0 -44.8 95.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.022 0.439 . . . . 0.0 110.546 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -63.68 -41.48 98.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.246 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -61.5 -45.18 95.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.589 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.415 ' HA ' HH11 ' A' ' 88' ' ' ARG . 62.8 ttm-85 -60.85 -43.1 98.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.257 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.9 -43.93 97.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.145 0.498 . . . . 0.0 110.526 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.71 98.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.17 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 84' ' ' SER . 12.0 mt -65.6 -39.63 91.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.667 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -59.99 -43.84 94.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.245 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.17 -38.49 90.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.236 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.4 80.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.48 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -63.57 -37.5 87.56 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.441 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.97 -41.94 97.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.376 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.07 -43.37 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.045 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.57 ' OE1' HD12 ' A' ' 81' ' ' LEU . 28.3 tt0 -60.45 -42.06 95.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.29 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.0 m -56.84 -44.21 81.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.041 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.98 -39.6 95.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.917 0.389 . . . . 0.0 110.53 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.445 HD22 ' CD2' ' A' ' 4' ' ' LEU . 96.3 mt -66.09 -30.61 71.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.693 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.17 -34.54 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.861 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 -179.607 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.577 HG21 ' OE1' ' B' ' 76' ' ' GLU . 54.0 t . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.972 0.415 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 75' ' ' VAL . 84.0 p -129.65 162.56 28.03 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.25 -44.99 84.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.655 HG13 HG21 ' A' ' 8' ' ' VAL . 56.9 t -63.6 -47.41 91.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.514 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 74' ' ' LEU . 91.8 mt -62.95 -40.33 97.33 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.043 0.449 . . . . 0.0 110.911 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 71' ' ' SER . 55.5 t -58.91 -47.35 89.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.145 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -58.93 -44.61 91.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.804 0.335 . . . . 0.0 110.364 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.08 89.89 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.668 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.24 -41.52 99.09 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.067 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 83' ' ' THR . 59.3 tp -57.79 -46.53 84.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.421 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.4 ' O ' ' OG1' ' A' ' 83' ' ' THR . 68.6 m80 -67.74 -48.46 66.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.57 HD12 ' OE1' ' A' ' 55' ' ' GLN . 14.7 mt -61.83 -44.97 95.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.808 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -60.6 -44.64 96.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.185 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.3 p -61.8 -43.99 97.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.07 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.422 ' HB2' HD21 ' A' ' 48' ' ' LEU . 78.1 p -62.81 -48.52 78.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.515 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.454 ' CE ' HH12 ' B' ' 19' ' ' ARG . 54.0 ttp -58.05 -47.77 82.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.523 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.22 -45.0 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.032 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.17 -45.36 91.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.806 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.415 HH11 ' HA ' ' A' ' 45' ' ' ARG . 53.8 ttp180 -58.31 -47.14 84.65 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.075 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 99.1 mt-10 -61.52 -43.53 98.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.024 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.95 -43.76 91.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.172 0.511 . . . . 0.0 109.852 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.572 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 75.9 mt -60.96 -42.54 93.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.272 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -57.64 -45.52 85.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.05 0.452 . . . . 0.0 109.902 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.535 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.2 mt-10 -63.69 -42.75 97.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.563 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.508 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 77.6 mt -59.95 -43.7 94.84 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.84 -42.95 94.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.505 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.56 -40.21 90.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.134 0.492 . . . . 0.0 109.763 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.45 -41.39 98.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.901 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 63.3 m80 -58.61 -41.0 84.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.9 -39.06 84.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.19 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.7 -35.22 80.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.278 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 179.442 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 8' ' ' VAL . 98.1 mt . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -63.42 -48.72 76.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.902 0.382 . . . . 0.0 110.285 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.61 -37.35 84.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.159 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.16 -43.12 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.324 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.627 HG21 HG13 ' B' ' 73' ' ' VAL . 78.3 t -61.26 -44.71 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.868 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.08 -41.88 89.07 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.41 -41.8 97.91 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.2 mt -63.08 -43.34 98.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.746 0.308 . . . . 0.0 110.357 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.31 -44.15 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.719 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.63 -44.01 98.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.892 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.91 -46.09 90.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.822 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -60.63 -44.28 96.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.055 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.36 -42.28 97.77 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.87 -45.78 87.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.96 -48.75 79.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.9 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 69.9 ttt180 -60.02 -45.95 91.11 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.8 m -56.97 -44.04 82.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.51 -42.76 99.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.783 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.578 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -56.12 -48.64 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.485 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 21.9 m-85 -59.64 -39.36 84.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.693 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.16 96.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.719 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.65 -43.45 89.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.635 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.62 -44.71 96.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.34 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -55.97 -41.62 75.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.86 -41.3 97.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.836 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.75 96.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.712 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.37 -29.05 69.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.086 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.14 -3.73 50.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.39 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.71 14.68 67.26 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -99.66 79.06 2.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.781 0.324 . . . . 0.0 110.299 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -65.22 -33.91 77.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.57 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.79 76.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.052 0.454 . . . . 0.0 110.808 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.19 -35.21 80.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.422 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.54 84.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.507 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 110.575 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.48 92.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.666 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 97.4 mmm -65.3 -40.55 93.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.12 -42.15 99.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.553 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -62.63 -44.96 94.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.45 -41.72 98.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.27 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -61.37 -45.45 94.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -60.53 -43.1 97.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 110.33 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.82 -43.91 97.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.313 0.578 . . . . 0.0 110.643 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.58 98.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.236 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.413 HD21 ' HB2' ' B' ' 84' ' ' SER . 11.8 mt -65.7 -39.46 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.695 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' B' ' 49' ' ' ASN . 51.4 t-20 -60.02 -44.07 94.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.312 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.9 -38.83 92.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.153 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.52 82.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.455 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -63.61 -37.73 88.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.326 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 40.4 mt -60.76 -42.06 96.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.0 -43.45 97.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.101 0.477 . . . . 0.0 110.035 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.57 ' OE1' HD12 ' B' ' 81' ' ' LEU . 28.0 tt0 -60.52 -41.94 95.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.267 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.4 m -56.98 -44.25 82.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.931 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.94 -39.69 95.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.859 0.361 . . . . 0.0 110.546 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.455 HD22 ' CD2' ' B' ' 4' ' ' LEU . 94.9 mt -66.0 -30.71 71.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.643 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -82.96 -34.75 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.786 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.523 -179.483 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.546 HG21 ' OE1' ' C' ' 76' ' ' GLU . 68.1 t . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 120.811 0.338 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.603 ' O ' HG23 ' B' ' 75' ' ' VAL . 89.8 p -129.03 164.43 23.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.568 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.97 -44.42 94.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.524 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.627 HG13 HG21 ' B' ' 8' ' ' VAL . 54.5 t -62.89 -46.75 95.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.655 -178.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.39 -40.01 96.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.603 HG23 ' O ' ' B' ' 71' ' ' SER . 55.7 t -58.97 -47.04 91.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.308 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.577 ' OE1' HG21 ' A' ' 70' ' ' VAL . 76.9 tt0 -58.97 -45.13 91.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.16 91.06 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.903 0.382 . . . . 0.0 110.421 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -63.09 -41.64 99.45 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.204 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.486 ' O ' HG23 ' B' ' 83' ' ' THR . 58.7 tp -57.84 -46.73 84.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.414 ' O ' ' OG1' ' B' ' 83' ' ' THR . 69.3 m80 -67.38 -48.58 67.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.743 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.57 HD12 ' OE1' ' B' ' 55' ' ' GLN . 14.7 mt -61.88 -44.97 95.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -60.54 -44.63 95.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.238 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.486 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.6 p -61.69 -44.12 97.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . 0.413 ' HB2' HD21 ' B' ' 48' ' ' LEU . 78.2 p -62.87 -48.56 78.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . 0.444 ' CE ' HH12 ' C' ' 19' ' ' ARG . 53.6 ttp -57.89 -47.79 81.75 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.525 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.34 -44.54 97.01 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.096 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.62 90.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.839 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -58.29 -46.91 85.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.228 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 99.1 mt-10 -61.74 -43.74 98.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.166 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.76 -43.58 92.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.103 0.477 . . . . 0.0 109.982 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.578 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 75.5 mt -61.02 -42.6 93.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.161 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.44 -45.64 84.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.068 0.461 . . . . 0.0 109.871 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . 0.52 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.6 mt-10 -63.92 -42.59 97.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.472 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.535 HD13 ' OE1' ' A' ' 93' ' ' GLU . 77.9 mt -59.85 -43.82 94.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.76 -43.17 94.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.502 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.31 -40.2 89.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.78 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.39 -41.65 98.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.833 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 63.6 m80 -58.4 -40.81 83.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.762 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.19 -38.76 84.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.043 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.22 -35.0 79.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.198 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.0 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.442 179.473 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.62 ' O ' HG23 ' C' ' 8' ' ' VAL . 98.0 mt . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.675 0.274 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -63.3 -48.63 77.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 110.456 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.99 -36.76 82.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.331 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.44 -43.11 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.354 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.62 HG23 ' O ' ' C' ' 4' ' ' LEU . 78.6 t -61.31 -44.69 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.006 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.6 mtp -59.2 -42.15 90.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.12 -41.91 98.25 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' C' ' 11' ' ' LEU . 30.6 mt -62.75 -43.69 98.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.364 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.15 -44.06 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.7 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.52 -44.19 98.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.006 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.83 -45.87 91.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.856 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 66.4 m -60.67 -44.3 96.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.161 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.48 -42.25 97.62 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -63.7 -45.62 89.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.81 79.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 70.5 ttt180 -60.06 -45.55 92.47 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 64.9 m -57.46 -44.08 84.51 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.37 -42.39 99.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.675 178.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.577 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -56.55 -48.68 76.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.481 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.1 m-85 -59.52 -39.26 83.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.555 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.75 96.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.721 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.11 92.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.578 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.8 -45.03 95.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.364 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -55.7 -41.94 74.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.939 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.69 96.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.824 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.49 -29.24 69.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.048 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -79.61 -4.17 50.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.29 14.32 66.59 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.56 79.21 2.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.78 0.324 . . . . 0.0 110.283 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.31 -33.97 77.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.483 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.44 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 110.697 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.26 80.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.373 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.04 86.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.455 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.98 -41.9 99.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.521 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.28 94.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.75 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 97.5 mmm -65.2 -40.98 94.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 3.4 mmt -63.06 -41.84 99.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.597 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -63.05 -44.78 94.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.399 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -63.45 -42.01 98.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -61.01 -45.58 94.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . 0.4 ' HA ' HH11 ' C' ' 88' ' ' ARG . 63.1 ttm-85 -60.45 -43.08 97.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.872 0.367 . . . . 0.0 110.34 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.72 -44.26 96.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.366 0.603 . . . . 0.0 110.494 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.21 -43.79 98.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.334 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' C' ' 84' ' ' SER . 11.8 mt -65.61 -39.85 91.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.77 -43.84 94.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.387 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.15 -39.07 92.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.03 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.77 82.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.465 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.528 ' CD2' ' ND2' ' D' ' 312' ' ' ASN . 29.2 t-80 -63.48 -37.64 88.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.29 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' C' ' 53' ' ' LEU . 39.5 mt -61.03 -41.86 97.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.336 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -63.88 -43.44 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.044 0.449 . . . . 0.0 109.957 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.575 ' OE1' HD12 ' C' ' 81' ' ' LEU . 28.1 tt0 -60.62 -42.16 96.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.264 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.429 HG21 HG22 ' D' ' 356' ' ' THR . 76.5 m -56.52 -44.4 80.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.129 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -63.1 -39.32 94.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.501 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' C' ' 4' ' ' LEU . 95.4 mt -65.88 -30.97 71.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.401 HG13 HD22 ' C' ' 74' ' ' LEU . 96.4 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.838 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.612 ' O ' HG23 ' C' ' 75' ' ' VAL . 89.7 p . . . . . 0 C--O 1.227 -0.127 0 CA-C-O 121.05 0.453 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 72' ' ' LEU . 74.6 mt -61.6 -43.61 98.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.689 -177.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.619 HG13 HG21 ' C' ' 8' ' ' VAL . 54.4 t -64.14 -47.29 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 130.061 3.344 . . . . 0.0 110.636 -178.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.401 HD22 HG13 ' C' ' 59' ' ' ILE . 97.1 mt -65.28 -39.73 92.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 177.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.612 HG23 ' O ' ' C' ' 71' ' ' SER . 54.7 t -59.23 -47.45 90.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.186 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . 0.546 ' OE1' HG21 ' B' ' 70' ' ' VAL . 76.3 tt0 -59.2 -45.1 91.96 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.89 91.85 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.814 0.34 . . . . 0.0 110.393 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.47 -41.27 98.61 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.27 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.485 ' O ' HG23 ' C' ' 83' ' ' THR . 58.1 tp -58.12 -46.73 85.1 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.547 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -67.57 -48.17 67.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.738 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . 0.575 HD12 ' OE1' ' C' ' 55' ' ' GLN . 14.7 mt -62.12 -45.01 95.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.848 -178.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -60.56 -44.53 96.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.361 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.485 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.8 p -61.83 -43.9 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.15 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . 0.416 ' HB2' HD21 ' C' ' 48' ' ' LEU . 77.7 p -63.11 -48.21 79.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.552 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 54.6 ttp -58.1 -48.14 81.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.705 0.288 . . . . 0.0 110.479 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.98 -44.89 96.72 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.131 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.1 88.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.935 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.4 HH11 ' HA ' ' C' ' 45' ' ' ARG . 53.8 ttp180 -57.86 -47.27 83.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.262 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.21 -43.61 98.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.903 0.383 . . . . 0.0 110.179 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.12 -43.63 91.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 0.0 110.024 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.577 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 75.6 mt -60.86 -42.61 93.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.347 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.41 -45.67 84.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.092 0.472 . . . . 0.0 109.982 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.86 -42.81 97.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.497 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.52 HD13 ' OE1' ' B' ' 93' ' ' GLU . 78.6 mt -59.59 -43.83 93.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.73 -43.12 94.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.561 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -39.92 89.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.709 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' C' ' 97' ' ' LEU . 86.1 mt -62.49 -41.57 98.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.857 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.475 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.1 m80 -58.5 -41.32 85.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -59.72 -38.89 82.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.86 -35.16 80.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.224 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 87.8 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.267 179.705 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.531 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.71 0 CA-C-O 121.873 0.844 . . . . 0.0 108.898 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.79 142.97 36.68 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.26 38.52 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.968 -1.083 . . . . 0.0 109.528 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.1 149.19 28.54 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.27 19.02 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.999 -1.063 . . . . 0.0 108.392 178.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.29 19.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 107.499 -1.296 . . . . 0.0 107.499 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.5 m -96.64 136.55 37.01 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.164 0.983 . . . . 0.0 110.192 177.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.94 114.31 24.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.86 -4.33 19.34 Favored 'General case' 0 C--N 1.265 -3.085 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.811 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.85 85.85 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 119.765 -1.834 . . . . 0.0 110.661 178.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.49 -47.67 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.725 3.617 . . . . 0.0 114.172 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -102.17 27.57 6.56 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 116.066 -2.254 . . . . 0.0 108.787 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 71.11 -93.73 0.52 Allowed Glycine 0 N--CA 1.496 2.655 0 C-N-CA 117.674 -2.203 . . . . 0.0 109.617 -175.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.537 ' O ' HD12 ' D' ' 314' ' ' LEU . 0.8 OUTLIER -169.99 59.14 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.904 -1.351 . . . . 0.0 109.524 179.82 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.783 ' CE1' ' HG1' ' D' ' 316' ' ' THR . 3.1 p80 -52.69 -171.56 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 117.856 -1.538 . . . . 0.0 112.09 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.783 ' HG1' ' CE1' ' D' ' 315' ' ' HIS . 44.9 p -31.23 -65.95 0.12 Allowed 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -176.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.461 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -45.21 -65.79 0.59 Allowed Pre-proline 0 N--CA 1.492 1.674 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.581 -176.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.67 -32.18 57.94 Favored 'Trans proline' 0 N--CA 1.484 0.963 0 C-N-CA 121.259 1.306 . . . . 0.0 111.514 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.465 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.0 -38.88 86.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.196 -0.94 . . . . 0.0 109.471 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.8 72.56 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -64.0 -39.31 93.82 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.964 -1.494 . . . . 0.0 109.459 177.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.41 92.96 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.598 1.19 . . . . 0.0 108.698 -177.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.465 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.2 t -62.6 -42.2 95.04 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.281 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.694 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -63.89 -40.28 96.14 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 109.708 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.84 80.2 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.453 -0.779 . . . . 0.0 109.564 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.94 91.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.599 -1.313 . . . . 0.0 109.482 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.38 -16.25 44.51 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.53 86.11 Favored Glycine 0 N--CA 1.479 1.551 0 O-C-N 119.956 -1.715 . . . . 0.0 109.246 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.5 143.32 32.88 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.275 -1.721 . . . . 0.0 110.023 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.62 -30.06 59.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.254 -0.903 . . . . 0.0 112.315 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.57 10.08 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 119.723 -1.861 . . . . 0.0 112.826 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.3 35.43 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 102.798 -3.038 . . . . 0.0 102.798 171.268 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.74 136.56 60.44 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.448 0 CA-C-O 122.215 1.007 . . . . 0.0 109.287 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -124.95 143.12 51.04 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-O 123.092 1.425 . . . . 0.0 110.025 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.0 130.01 61.19 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.718 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.8 m -127.52 119.47 26.11 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.844 -1.16 . . . . 0.0 108.944 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.5 122.61 39.32 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.534 -0.729 . . . . 0.0 109.918 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.7 38.92 24.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.936 -1.103 . . . . 0.0 112.798 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.67 11.07 83.46 Favored Glycine 0 N--CA 1.501 3.006 0 O-C-N 119.913 -1.742 . . . . 0.0 112.57 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.9 m -124.75 158.55 33.02 Favored 'General case' 0 C--N 1.275 -2.651 0 CA-C-O 123.83 1.776 . . . . 0.0 112.388 -176.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.5 31.56 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.45 -2.159 . . . . 0.0 108.569 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.7 135.95 48.66 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.92 -6.81 47.7 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.724 -1.235 . . . . 0.0 110.72 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.52 12.93 31.71 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.627 -1.296 . . . . 0.0 109.393 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.0 t -133.04 104.12 6.37 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 122.178 0.99 . . . . 0.0 110.145 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.19 -37.96 72.93 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.982 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -58.83 -51.37 70.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.61 -1.306 . . . . 0.0 113.126 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.05 -32.46 70.58 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 119.498 -2.001 . . . . 0.0 109.193 -178.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.77 -33.7 75.7 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.939 -1.105 . . . . 0.0 109.965 -177.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -67.71 -10.49 52.96 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.646 -0.659 . . . . 0.0 109.87 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 34.5 p -89.69 -7.8 53.79 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 118.188 -1.405 . . . . 0.0 110.961 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.2 mt -93.26 159.35 15.31 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.157 -0.964 . . . . 0.0 110.153 -178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.74 104.84 2.97 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 177.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' D' ' 361' ' ' VAL . 74.3 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.135 0 O-C-N 120.638 -1.507 . . . . 0.0 107.335 -178.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.596 HG22 HG21 ' C' ' 56' ' ' THR . 58.2 p -81.41 172.51 13.46 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.246 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.68 140.85 57.33 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.817 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.49 -3.18 78.72 Favored Glycine 0 N--CA 1.501 3.025 0 C-N-CA 120.043 -1.075 . . . . 0.0 111.344 177.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.46 136.0 34.02 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.888 -1.36 . . . . 0.0 110.594 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.61 123.72 49.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 176.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.18 160.11 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.338 0 C-N-CA 117.412 -1.715 . . . . 0.0 110.622 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.7 m -108.91 128.39 54.89 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.487 -1.383 . . . . 0.0 107.567 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.86 121.49 60.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 176.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.2 50.71 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.608 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.48 47.23 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.478 -1.289 . . . . 0.0 109.753 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.531 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.25 110.79 6.41 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 118.524 -1.271 . . . . 0.0 108.031 178.205 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.25 -170.33 40.16 Favored Glycine 0 C--N 1.296 -1.65 0 C-N-CA 117.963 -2.065 . . . . 0.0 110.319 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.29 -40.66 82.54 Favored 'General case' 0 C--N 1.276 -2.605 0 CA-C-N 114.327 -0.936 . . . . 0.0 112.239 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.08 36.84 3.53 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 115.894 -2.322 . . . . 0.0 108.625 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.36 -33.62 65.85 Favored 'General case' 0 N--CA 1.521 3.086 0 N-CA-C 116.82 2.155 . . . . 0.0 116.82 -174.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.451 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.61 27.76 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 119.621 -1.924 . . . . 0.0 110.984 -176.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.778 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.55 -40.68 97.62 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.43 77.86 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.452 -1.699 . . . . 0.0 110.058 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.7 t -66.81 -42.26 88.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-O 122.216 1.008 . . . . 0.0 109.314 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.91 -47.9 76.63 Favored 'General case' 0 C--N 1.286 -2.191 0 CA-C-O 122.059 0.933 . . . . 0.0 108.724 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.778 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.77 -38.32 76.68 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.707 -178.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.5 mt -75.61 -28.64 58.95 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.371 -1.456 . . . . 0.0 110.919 -174.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.5 71.41 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.42 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.82 -49.39 62.51 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.17 -45.18 83.89 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.552 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.39 -37.37 85.5 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.871 -1.143 . . . . 0.0 111.547 -177.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.84 61.66 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.122 -0.986 . . . . 0.0 110.227 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.88 -32.29 45.84 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.455 -0.778 . . . . 0.0 111.328 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.13 125.5 12.43 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 124.388 2.042 . . . . 0.0 112.853 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.811 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 32.0 tt0 . . . . . 0 C--N 1.278 -2.514 0 CA-C-N 111.094 -2.775 . . . . 0.0 110.151 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 8' ' ' VAL . 65.5 mt . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.73 -49.42 75.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.254 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.79 -36.22 82.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.274 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.73 -43.05 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.339 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 4' ' ' LEU . 71.7 t -61.05 -45.83 97.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.985 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.0 -42.22 89.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.02 -41.41 99.88 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 11' ' ' LEU . 31.6 mt -63.6 -43.21 97.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.901 0.382 . . . . 0.0 110.243 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.01 -44.65 99.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.755 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.08 -44.63 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.967 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 0.6 OUTLIER -61.65 -45.73 92.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.743 179.703 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.5 m -59.92 -44.29 94.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.003 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.461 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.12 -42.64 99.45 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.77 -44.55 93.07 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.91 -49.28 77.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -61.02 -45.23 95.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.9 t -56.2 -44.5 79.53 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.48 -41.0 96.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.721 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.498 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.82 -47.68 81.95 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -59.51 -42.07 91.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.639 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.79 89.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.745 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.85 89.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.675 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.7 -44.79 96.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.491 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.21 -42.73 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.2 -41.27 92.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.818 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.25 93.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.7 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.21 -30.08 70.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.15 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.38 -3.86 51.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.415 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.36 13.07 79.51 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -95.49 81.24 3.53 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.248 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -64.92 -34.41 78.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.65 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.94 81.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.057 0.456 . . . . 0.0 110.735 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.58 80.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.348 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -48.29 79.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.586 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.38 -43.95 96.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.684 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.81 99.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.7 mmm -65.46 -42.32 92.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.517 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.569 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.8 mtm -63.84 -41.1 97.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.28 -45.54 92.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 0.0 110.531 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.96 -41.5 97.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.2 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.3 m -60.52 -45.67 92.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.56 -42.53 96.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.85 -43.12 98.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.238 0.542 . . . . 0.0 110.605 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.76 99.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.213 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.535 HD12 ' HE ' ' A' ' 88' ' ' ARG . 90.6 mt -64.75 -40.77 95.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.691 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -60.63 -41.9 95.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.248 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.1 -39.88 93.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.228 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.429 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.65 -43.75 83.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.476 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.29 -37.71 88.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 53' ' ' LEU . 36.7 mt -61.19 -43.56 98.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.309 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.84 -44.03 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.033 0.444 . . . . 0.0 110.019 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.457 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 68.0 tp60 -60.78 -43.25 98.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.269 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -59.83 -41.93 92.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.015 0.436 . . . . 0.0 110.025 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.18 -34.51 73.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.513 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.4 mt -71.65 -60.07 2.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.735 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.401 ' CG1' HD22 ' A' ' 74' ' ' LEU . 70.0 mt -56.39 -36.75 48.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.858 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 -179.517 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.949 0.404 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.59 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.8 p -129.92 162.16 29.24 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.4 mt -57.09 -45.74 83.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.672 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.61 HG13 HG21 ' A' ' 8' ' ' VAL . 71.6 t -64.06 -47.83 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 120.896 0.379 . . . . 0.0 110.548 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.401 HD22 ' CG1' ' A' ' 59' ' ' ILE . 97.7 mt -63.22 -40.93 98.87 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -178.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 71' ' ' SER . 55.7 t -59.26 -47.18 91.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.155 -179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.16 -44.74 92.13 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.313 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -65.61 -43.46 89.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.609 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.3 -41.45 98.96 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.169 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 83' ' ' THR . 46.4 tp -57.79 -45.93 85.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.425 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -67.06 -46.83 73.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.713 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.67 -45.52 93.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.854 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.43 -43.48 98.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.242 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.9 p -64.15 -47.15 81.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.128 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.43 -49.12 76.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -58.05 -47.4 83.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.566 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.29 -45.36 93.63 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.103 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.4 85.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.856 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.535 ' HE ' HD12 ' A' ' 48' ' ' LEU . 8.9 tmm_? -58.16 -45.28 87.74 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.132 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.584 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 96.1 mt-10 -62.41 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.042 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.88 -42.74 94.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.178 0.513 . . . . 0.0 109.863 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.498 HD12 ' HB1' ' A' ' 22' ' ' ALA . 78.2 mt -60.61 -41.94 89.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.0 m -58.12 -45.55 87.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.018 0.437 . . . . 0.0 109.917 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.91 -43.71 98.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.542 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.559 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 81.0 mt -59.45 -43.34 93.2 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.569 HD12 ' SD ' ' A' ' 41' ' ' MET . 89.7 mt -61.94 -42.87 96.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.547 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.543 ' OE2' ' NZ ' ' B' ' 30' ' ' LYS . 81.1 tt0 -61.59 -38.76 88.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 97' ' ' LEU . 35.7 mt -61.79 -41.46 97.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.862 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.559 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.4 m80 -59.58 -38.12 80.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -62.24 -40.61 96.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.204 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.413 ' HZ3' ' HG2' ' A' ' 96' ' ' GLU . 62.2 mttp -64.39 -38.94 92.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.244 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.431 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.635 ' O ' HG23 ' B' ' 8' ' ' VAL . 65.1 mt . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 120.57 0.224 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.9 -49.21 75.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 110.33 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.64 -36.44 83.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.218 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.6 -42.92 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 4' ' ' LEU . 73.2 t -61.25 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.851 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.22 -41.97 89.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.06 -41.91 99.72 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.23 -43.02 99.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.409 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.46 -44.53 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.732 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.13 -44.34 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.92 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 0.6 OUTLIER -61.77 -45.95 91.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.811 179.634 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.1 m -59.73 -44.3 93.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.141 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -42.53 99.34 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -63.47 -44.92 93.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.28 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.879 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.584 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 68.8 ttt180 -61.07 -45.34 95.13 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.1 t -56.14 -44.12 78.91 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.62 -41.52 97.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.733 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.509 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.55 -47.73 81.23 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.3 m-85 -59.22 -42.3 90.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.663 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.61 88.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.738 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.62 91.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.658 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.93 -44.85 95.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.333 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -55.08 -43.1 73.6 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -59.87 -41.25 91.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.933 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.12 93.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.75 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OE2' ' A' ' 96' ' ' GLU . 67.8 mttm -61.12 -30.27 70.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.02 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -80.15 -4.09 51.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.42 13.12 79.3 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.49 81.2 3.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 110.293 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -65.03 -34.55 78.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.603 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.44 -47.95 81.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.97 0.415 . . . . 0.0 110.753 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.77 81.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.434 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -48.17 79.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.526 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.47 -44.26 96.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.76 99.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.68 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.5 mmm -65.66 -42.32 91.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.613 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.583 ' SD ' HD12 ' B' ' 95' ' ' ILE . 74.1 mtm -63.73 -41.26 98.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.549 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -62.11 -45.7 92.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.444 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.81 -41.68 97.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.272 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -60.33 -45.87 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.441 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -60.49 -42.45 96.35 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.327 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.81 -42.93 98.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.267 0.556 . . . . 0.0 110.657 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.05 99.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.186 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.539 HD12 ' HE ' ' B' ' 88' ' ' ARG . 90.1 mt -65.38 -40.67 93.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.77 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -60.78 -41.62 95.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.299 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.23 -40.26 93.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.156 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.44 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.08 -44.13 85.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.391 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.99 -38.15 90.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.288 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.75 -43.83 97.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.332 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.65 -43.6 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.049 0.452 . . . . 0.0 110.012 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.451 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 67.6 tp60 -61.27 -43.06 99.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.187 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.5 m -60.17 -41.87 93.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.959 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.31 -34.22 73.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.906 0.384 . . . . 0.0 110.553 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 90.0 mt -71.9 -60.08 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.703 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.402 ' CG1' HD22 ' B' ' 74' ' ' LEU . 69.4 mt -56.28 -36.97 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.764 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.489 -179.419 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.462 0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.64 ' O ' HG23 ' B' ' 75' ' ' VAL . 14.9 p -129.41 164.24 24.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.548 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.6 mt -59.78 -45.25 92.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.57 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.607 HG13 HG21 ' B' ' 8' ' ' VAL . 67.3 t -63.49 -46.83 94.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.646 -178.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . 0.402 HD22 ' CG1' ' B' ' 59' ' ' ILE . 98.5 mt -63.84 -40.13 95.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 71' ' ' SER . 55.7 t -59.97 -47.51 91.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.268 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.19 -44.71 92.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.341 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.451 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -65.16 -43.55 91.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.896 0.379 . . . . 0.0 110.41 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.5 -41.56 98.53 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.241 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.497 ' O ' HG23 ' B' ' 83' ' ' THR . 46.3 tp -57.65 -45.87 84.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.35 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -66.88 -47.22 72.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.786 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.38 -45.48 94.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -62.46 -43.39 98.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.188 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.497 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.7 p -64.36 -46.85 81.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.149 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -62.65 -49.36 75.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.59 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -57.82 -47.56 82.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.528 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.85 -45.96 91.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.151 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.5 85.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.86 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.539 ' HE ' HD12 ' B' ' 48' ' ' LEU . 8.9 tmm_? -57.87 -45.54 86.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.262 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.7 mt-10 -62.04 -43.19 99.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.198 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.62 -42.57 95.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.066 0.46 . . . . 0.0 110.034 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.509 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.7 mt -60.77 -42.14 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.217 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.7 m -58.0 -45.5 86.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.028 0.442 . . . . 0.0 109.869 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.14 -43.37 98.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.515 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.552 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 81.6 mt -59.53 -43.64 93.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.583 HD12 ' SD ' ' B' ' 41' ' ' MET . 89.9 mt -61.81 -42.72 95.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.536 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . 0.5 ' OE2' ' NZ ' ' C' ' 30' ' ' LYS . 80.1 tt0 -61.52 -39.4 90.88 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' B' ' 97' ' ' LEU . 34.8 mt -61.38 -41.18 96.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.83 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.7 m80 -59.75 -38.32 81.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.23 -40.47 96.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.105 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -64.6 -38.76 92.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.201 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 101' ' ' LEU . 40.6 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.407 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.652 ' O ' HG23 ' C' ' 8' ' ' VAL . 65.5 mt . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.569 0.223 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.73 -49.79 73.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.29 -36.13 83.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.25 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.83 -42.9 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.391 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.652 HG23 ' O ' ' C' ' 4' ' ' LEU . 74.8 t -61.21 -45.55 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.021 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.36 -41.88 90.27 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.35 -41.55 99.41 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 11' ' ' LEU . 32.5 mt -63.43 -43.15 98.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.851 0.358 . . . . 0.0 110.352 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.21 -44.68 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.71 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.77 -44.5 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.042 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 0.6 OUTLIER -61.85 -45.6 93.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.852 179.634 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 m -59.89 -44.22 94.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.202 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.54 -42.3 98.93 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -63.58 -44.79 93.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.78 -49.51 76.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.574 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 69.0 ttt180 -61.05 -45.21 95.67 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 40.1 t -56.23 -44.21 79.38 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.62 -41.61 97.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.696 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.511 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.37 -47.78 80.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.0 m-85 -59.29 -42.41 91.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.523 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.55 89.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.722 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.59 90.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.6 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -62.02 -44.73 96.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.41 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -55.16 -42.94 73.76 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -60.15 -41.07 91.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.939 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.1 93.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.788 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . 0.5 ' NZ ' ' OE2' ' B' ' 96' ' ' GLU . 68.0 mttm -61.28 -30.07 70.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.064 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -80.11 -4.01 51.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.467 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.24 13.2 79.42 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -95.73 81.25 3.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.758 0.313 . . . . 0.0 110.202 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -64.98 -34.48 78.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.578 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.95 81.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.018 0.437 . . . . 0.0 110.695 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.8 -35.82 81.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.344 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.25 -48.23 79.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.515 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.42 -44.17 96.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.634 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.88 99.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.8 mmm -65.56 -42.19 92.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.586 ' SD ' HD12 ' C' ' 95' ' ' ILE . 74.2 mtm -64.02 -41.26 97.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.606 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.09 -45.64 92.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.396 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.76 -41.72 97.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.288 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -60.27 -45.77 92.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.531 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.71 -42.33 97.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.364 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.61 -43.54 97.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.282 0.563 . . . . 0.0 110.563 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.51 99.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.313 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.517 HD12 ' HE ' ' C' ' 88' ' ' ARG . 89.2 mt -65.28 -40.59 94.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.721 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -60.95 -41.29 96.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.347 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.41 -40.31 93.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.033 0.444 . . . . 0.0 110.028 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.428 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.28 -43.9 85.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.486 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.05 -38.15 90.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.261 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.11 -43.78 98.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.286 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 66.2 t -65.14 -44.27 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.062 0.458 . . . . 0.0 110.016 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.435 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 67.4 tp60 -60.67 -43.65 97.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.188 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.596 HG21 HG22 ' D' ' 356' ' ' THR . 19.6 m -59.57 -41.98 91.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.136 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.32 -34.12 73.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.912 0.387 . . . . 0.0 110.526 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 90.3 mt -71.84 -59.97 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.819 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.4 ' CG1' HD22 ' C' ' 74' ' ' LEU . 69.1 mt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.825 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.647 ' O ' HG23 ' C' ' 75' ' ' VAL . 14.2 p . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 120.996 0.427 . . . . 0.0 110.562 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.38 -44.53 97.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.666 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.576 HG13 HG21 ' C' ' 8' ' ' VAL . 61.2 t -64.77 -47.33 89.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 130.068 3.347 . . . . 0.0 110.641 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . 0.4 HD22 ' CG1' ' C' ' 59' ' ' ILE . 96.3 mt -65.65 -40.2 92.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.027 0.441 . . . . 0.0 110.94 177.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.647 HG23 ' O ' ' C' ' 71' ' ' SER . 55.7 t -59.97 -47.87 90.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.2 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -59.43 -44.73 92.83 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.329 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.435 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -65.24 -43.18 92.21 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.92 0.39 . . . . 0.0 110.474 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.79 -41.49 97.93 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.272 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.492 ' O ' HG23 ' C' ' 83' ' ' THR . 46.0 tp -57.58 -46.24 84.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.46 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -66.58 -47.17 73.61 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.737 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.59 -45.47 93.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.809 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.37 -43.24 99.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.31 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.492 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.7 p -64.54 -46.79 81.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.166 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.76 -49.13 76.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.539 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.83 -47.86 81.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.632 0.253 . . . . 0.0 110.499 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.93 -45.63 92.86 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.18 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.22 -47.61 84.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.946 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.517 ' HE ' HD12 ' C' ' 48' ' ' LEU . 8.9 tmm_? -57.76 -45.87 85.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.221 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.51 -43.56 98.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.199 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.5 -42.74 95.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.471 . . . . 0.0 109.981 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.511 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.9 mt -60.43 -42.33 90.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.384 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 91.0 m -57.54 -45.92 84.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.09 0.471 . . . . 0.0 109.966 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.93 -43.43 98.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.457 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.553 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.6 mt -59.42 -43.42 93.05 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . 0.586 HD12 ' SD ' ' C' ' 41' ' ' MET . 90.0 mt -62.01 -42.94 96.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.557 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.04 -39.3 89.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.076 0.465 . . . . 0.0 109.765 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.46 -41.53 97.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.88 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.553 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.4 m80 -59.54 -38.11 80.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.705 179.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -62.49 -40.46 96.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.133 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -64.42 -39.0 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.189 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.367 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.532 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 121.886 0.85 . . . . 0.0 108.978 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.453 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.76 143.07 36.78 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.33 38.55 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.96 -1.087 . . . . 0.0 109.531 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.22 149.14 28.4 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.92 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.001 -1.062 . . . . 0.0 108.371 178.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.88 144.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.76 136.55 37.15 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 122.202 1.001 . . . . 0.0 110.082 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.83 114.25 24.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.87 -4.3 19.36 Favored 'General case' 0 C--N 1.265 -3.104 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.794 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.45 141.88 86.02 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.65 -1.906 . . . . 0.0 110.628 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.56 -47.67 13.03 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 124.759 3.639 . . . . 0.0 114.188 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.548 HD21 ' CD2' ' D' ' 315' ' ' HIS . 22.7 p30 -102.15 27.54 6.57 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 116.048 -2.261 . . . . 0.0 108.754 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.16 -145.61 44.0 Favored Glycine 0 N--CA 1.496 2.67 0 C-N-CA 117.677 -2.202 . . . . 0.0 109.605 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.0 tp -88.42 79.7 7.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.932 -1.334 . . . . 0.0 109.562 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.548 ' CD2' HD21 ' D' ' 312' ' ' ASN . 2.7 p80 -76.32 177.32 7.38 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 117.834 -1.547 . . . . 0.0 112.118 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 77.7 p -36.32 -69.43 0.11 Allowed 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 117.291 2.33 . . . . 0.0 117.291 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 6.9 tmm_? -56.49 -52.32 74.2 Favored Pre-proline 0 N--CA 1.493 1.69 0 C-N-CA 120.071 -0.651 . . . . 0.0 112.542 -176.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.21 -32.17 62.99 Favored 'Trans proline' 0 C--N 1.318 -1.066 0 CA-C-N 119.503 0.858 . . . . 0.0 111.557 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.501 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.05 -38.76 86.39 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.481 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.74 72.56 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.97 -39.36 93.96 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 118.003 -1.479 . . . . 0.0 109.485 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.71 -45.3 93.36 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 122.63 1.205 . . . . 0.0 108.705 -177.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 319' ' ' ALA . 61.7 t -62.68 -42.18 95.1 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.668 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.86 -40.24 96.08 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.311 -0.868 . . . . 0.0 109.819 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.8 -39.72 79.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.418 -0.801 . . . . 0.0 109.571 177.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.93 92.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.611 -1.306 . . . . 0.0 109.463 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.27 -16.29 44.0 Favored 'General case' 0 N--CA 1.511 2.595 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.58 86.07 Favored Glycine 0 N--CA 1.479 1.505 0 O-C-N 119.91 -1.744 . . . . 0.0 109.317 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.4 32.76 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.377 -1.66 . . . . 0.0 110.034 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.3 p -75.59 -30.14 59.52 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.188 -0.945 . . . . 0.0 112.316 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.76 158.5 10.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 119.772 -1.83 . . . . 0.0 112.836 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.582 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.88 130.21 35.4 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 102.87 -3.011 . . . . 0.0 102.87 171.228 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.69 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-O 122.171 0.986 . . . . 0.0 109.358 -178.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.9 143.21 50.97 Favored 'General case' 0 C--N 1.284 -2.239 0 CA-C-O 123.027 1.394 . . . . 0.0 110.013 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.7 t -108.17 129.94 61.58 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.762 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 173.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.46 119.58 26.43 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.858 -1.151 . . . . 0.0 108.927 -178.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.59 122.61 39.27 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.847 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.77 38.98 24.53 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.88 -1.138 . . . . 0.0 112.698 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.05 83.58 Favored Glycine 0 N--CA 1.501 3.012 0 O-C-N 119.963 -1.711 . . . . 0.0 112.558 177.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.85 136.26 54.56 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.72 158.57 32.92 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-O 123.751 1.739 . . . . 0.0 112.449 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.41 31.34 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 112.512 -2.131 . . . . 0.0 108.566 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.6 136.0 48.88 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 173.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.442 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.0 -6.84 48.14 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.656 -1.277 . . . . 0.0 110.704 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.45 12.93 31.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.591 -1.318 . . . . 0.0 109.361 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.9 t -133.01 104.18 6.41 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.16 0.981 . . . . 0.0 110.153 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.29 -37.84 73.05 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.967 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -58.94 -51.42 70.13 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.603 -1.311 . . . . 0.0 113.02 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -69.99 -32.42 70.61 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 119.543 -1.973 . . . . 0.0 109.239 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.82 -33.72 75.81 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 118.926 -1.11 . . . . 0.0 109.982 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -67.7 -10.44 52.38 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.598 -0.688 . . . . 0.0 109.893 -177.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.6 p -89.76 -7.69 53.89 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 118.097 -1.441 . . . . 0.0 110.973 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.44 159.3 15.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.204 -0.935 . . . . 0.0 110.132 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.77 2.96 Favored Glycine 0 N--CA 1.484 1.881 0 N-CA-C 107.003 -2.439 . . . . 0.0 107.003 177.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.56 47.51 1.7 Allowed 'General case' 0 C--N 1.309 -1.154 0 O-C-N 120.657 -1.496 . . . . 0.0 107.421 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 57.9 p -81.56 172.45 13.45 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.174 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -60.61 140.91 57.22 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.294 -0.962 . . . . 0.0 109.889 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.45 -3.25 78.95 Favored Glycine 0 N--CA 1.501 3.028 0 C-N-CA 119.97 -1.109 . . . . 0.0 111.34 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.43 135.93 34.06 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.894 -1.356 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.53 123.7 48.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.496 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.19 160.11 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.325 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.634 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.3 m -108.95 128.44 54.94 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.536 -1.353 . . . . 0.0 107.587 175.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.9 121.47 60.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 176.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.27 50.72 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.17 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 118.498 -1.281 . . . . 0.0 109.784 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.532 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.87 6.46 Favored 'General case' 0 C--N 1.289 -2.037 0 C-N-CA 118.541 -1.264 . . . . 0.0 108.001 178.183 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.32 40.11 Favored Glycine 0 C--N 1.296 -1.679 0 C-N-CA 118.049 -2.025 . . . . 0.0 110.341 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.37 -40.57 82.62 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 114.369 -0.916 . . . . 0.0 112.186 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.1 36.8 3.55 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 115.902 -2.319 . . . . 0.0 108.59 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.54 65.86 Favored 'General case' 0 N--CA 1.521 3.105 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 -174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.461 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.6 27.8 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 119.63 -1.919 . . . . 0.0 111.016 -176.626 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.857 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.62 -40.6 97.32 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.48 77.68 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 117.412 -1.715 . . . . 0.0 110.01 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.84 -42.22 88.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 CA-C-O 122.231 1.015 . . . . 0.0 109.244 -178.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.8 -47.98 76.18 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-O 122.042 0.925 . . . . 0.0 108.751 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.857 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.73 -38.42 76.87 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.705 -178.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.3 mt -75.59 -28.6 59.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.372 -1.455 . . . . 0.0 110.872 -174.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.52 71.46 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.2 63.29 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.34 -45.19 84.55 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 119.024 -1.071 . . . . 0.0 110.486 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.496 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.39 -37.38 85.54 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.886 -1.134 . . . . 0.0 111.529 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.81 61.7 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.055 -1.028 . . . . 0.0 110.323 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.33 45.84 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.479 -0.763 . . . . 0.0 111.325 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.12 125.54 12.5 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 124.331 2.015 . . . . 0.0 112.845 178.708 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.794 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.0 mt-10 . . . . . 0 C--N 1.277 -2.554 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.104 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.2 mt . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 110.462 -0.199 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -64.53 -47.47 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 0.0 110.265 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.97 -36.76 82.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.262 179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.525 HG11 HD11 ' A' ' 58' ' ' LEU . 71.5 t -64.28 -42.28 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.606 HG21 HG13 ' A' ' 73' ' ' VAL . 66.6 t -60.85 -45.65 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.965 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.4 mtp -58.5 -42.36 87.47 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.31 -42.62 97.71 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.0 mt -63.12 -43.27 98.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 0.0 110.24 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.418 ' O ' ' OG ' ' A' ' 15' ' ' SER . 92.6 mt -63.1 -44.84 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.754 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.06 -44.03 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.992 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.569 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 53.0 t-20 -60.49 -45.89 92.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.848 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 12' ' ' ILE . 78.9 p -59.96 -43.97 94.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.943 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.54 -41.84 99.07 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.501 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.9 mm-40 -62.7 -43.27 99.22 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.562 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.75 -48.64 80.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.824 179.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -61.06 -46.49 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.3 p -56.28 -43.29 78.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.04 -41.56 98.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.654 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -57.03 -48.14 79.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.11 -41.51 92.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.673 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.76 97.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.755 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.33 87.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.677 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.14 -44.89 96.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.474 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -55.35 -42.83 74.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -60.6 -41.47 94.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.781 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.68 94.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.727 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.61 -29.22 69.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.134 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -80.02 -4.34 52.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.02 12.56 76.55 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.01 80.05 3.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.75 0.31 . . . . 0.0 110.3 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -64.49 -34.84 79.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.645 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -47.73 81.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.051 0.453 . . . . 0.0 110.692 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.92 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.383 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.32 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.534 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.24 -43.62 98.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.629 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.39 99.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.32 -41.02 94.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.47 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.44 ' O ' ' OG ' ' A' ' 44' ' ' SER . 4.8 mmt -62.69 -41.07 98.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.56 -43.85 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.975 0.417 . . . . 0.0 110.531 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.77 -41.5 97.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.24 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.27 -45.74 93.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.566 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.92 -42.61 98.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.329 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.79 -43.08 99.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.223 0.535 . . . . 0.0 110.51 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.61 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.272 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.681 HD12 ' HE ' ' A' ' 88' ' ' ARG . 91.0 mt -65.57 -40.03 92.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.68 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -61.07 -41.98 97.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.252 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.47 -39.71 92.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.266 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.8 -43.46 83.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.51 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -64.26 -37.36 87.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.367 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.74 -43.1 99.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.304 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.16 -43.01 97.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.052 0.453 . . . . 0.0 110.001 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.467 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 67.2 tp60 -61.16 -41.12 96.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.186 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.4 m -56.51 -44.5 80.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.953 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.7 -39.68 94.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.527 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.525 HD11 HG11 ' A' ' 7' ' ' VAL . 93.7 mt -65.28 -30.7 71.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.719 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.87 -33.8 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.84 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.527 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.461 0.122 0 CA-C-O 120.915 0.388 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.509 ' O ' HG23 ' A' ' 75' ' ' VAL . 86.2 p -129.48 163.71 25.29 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 72' ' ' LEU . 36.9 mt -57.51 -44.39 85.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.667 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.606 HG13 HG21 ' A' ' 8' ' ' VAL . 55.3 t -63.0 -46.95 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.551 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.82 -40.89 98.8 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 71' ' ' SER . 53.0 t -60.19 -47.56 91.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.235 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -58.79 -47.1 85.93 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.302 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.467 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.02 -43.19 96.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.529 HE22 ' CE1' ' B' ' 80' ' ' HIS . 58.8 tt0 -63.18 -41.64 99.24 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.106 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 83' ' ' THR . 41.6 tp -57.0 -47.02 81.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.34 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -66.84 -46.92 73.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.755 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.65 -45.29 93.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.83 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.0 -44.6 96.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.195 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.4 p -63.46 -46.55 85.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.12 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.75 -48.0 81.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.421 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -59.03 -48.88 80.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.512 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.4 -45.22 95.24 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.098 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.08 83.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.871 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.681 ' HE ' HD12 ' A' ' 48' ' ' LEU . 7.9 tmm_? -58.96 -45.05 91.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.134 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.12 -46.69 87.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.109 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 90' ' ' LEU . 95.7 mt -64.93 -42.68 94.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.126 0.488 . . . . 0.0 109.883 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.498 HD13 ' HB1' ' A' ' 22' ' ' ALA . 67.4 mt -60.21 -42.07 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.23 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -57.86 -45.22 86.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.047 0.451 . . . . 0.0 109.854 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.32 -42.19 99.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.631 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.5 mt -59.98 -42.83 95.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.33 -42.97 95.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.495 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.47 -38.85 85.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.488 HD21 ' NE2' ' B' ' 98' ' ' HIS . 39.7 mt -62.42 -40.76 97.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.875 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.8 m80 -59.42 -41.09 88.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -58.8 -40.47 84.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.183 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.9 -33.67 75.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.194 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.2 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 179.679 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.605 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.0 mt . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 120.599 0.237 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -64.46 -47.35 79.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.414 . . . . 0.0 110.385 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -67.03 -36.8 82.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.211 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.512 HG11 HD11 ' B' ' 58' ' ' LEU . 70.2 t -64.24 -42.57 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.318 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 4' ' ' LEU . 67.7 t -60.58 -45.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.88 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -58.94 -42.15 89.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.57 -42.65 97.31 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' B' ' 11' ' ' LEU . 36.9 mt -63.0 -43.28 99.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.771 0.32 . . . . 0.0 110.312 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.29 -44.93 99.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.661 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.78 -44.31 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.905 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . 0.571 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 53.1 t-20 -60.35 -45.86 91.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.799 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -59.88 -44.29 94.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.06 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.34 -41.65 99.4 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.441 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.9 mm-40 -62.78 -43.41 98.86 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.552 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.7 -48.23 81.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.942 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -61.14 -46.51 90.24 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.2 p -56.52 -43.01 79.38 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.12 -41.76 98.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.693 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -56.96 -48.23 78.86 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -60.16 -41.35 92.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.7 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.07 96.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.667 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.01 -44.04 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.627 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.21 -45.32 95.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.345 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -55.18 -42.73 73.57 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.51 -41.82 95.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.906 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.97 93.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.742 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.31 -29.62 69.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.071 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.91 -4.49 52.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.432 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.44 12.11 76.36 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -95.82 79.99 3.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.336 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -64.43 -34.93 79.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.28 80.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 110.798 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.28 80.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.39 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.38 -48.17 79.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.596 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.33 -43.62 98.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.51 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.29 99.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.7 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.37 -41.31 93.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.507 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.443 ' O ' ' OG ' ' B' ' 44' ' ' SER . 4.8 mmt -62.32 -41.4 98.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.629 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.45 -44.0 97.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.42 -41.59 98.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.28 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.3 p -61.36 -46.06 91.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -60.52 -42.57 96.73 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.316 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.85 -43.07 99.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.331 0.586 . . . . 0.0 110.646 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.28 98.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.151 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.669 HD12 ' HE ' ' B' ' 88' ' ' ARG . 90.2 mt -65.82 -40.25 91.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.736 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -61.03 -41.87 97.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.295 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.4 -40.04 92.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.17 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.571 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.7 -43.19 85.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.482 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -64.37 -37.64 88.23 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.247 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.2 mt -61.41 -43.43 98.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.351 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.86 -43.46 97.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.043 0.449 . . . . 0.0 109.972 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.473 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 67.5 tp60 -60.52 -41.32 94.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.312 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.7 m -56.66 -44.26 81.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.926 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.85 -39.55 94.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.881 0.372 . . . . 0.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.512 HD11 HG11 ' B' ' 7' ' ' VAL . 93.8 mt -65.3 -30.8 71.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.69 -33.83 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.8 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.521 -179.924 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.849 0.357 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.537 ' O ' HG23 ' B' ' 75' ' ' VAL . 91.0 p -128.99 165.14 21.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.587 -178.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.74 -44.05 93.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.592 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.586 HG13 HG21 ' B' ' 8' ' ' VAL . 52.2 t -62.31 -46.26 96.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.545 -178.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.14 -40.36 97.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 71' ' ' SER . 59.7 t -60.44 -48.31 88.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.25 -179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.32 -46.86 85.38 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.325 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.473 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -64.21 -42.87 96.42 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.87 0.367 . . . . 0.0 110.439 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.535 HE22 ' CE1' ' C' ' 80' ' ' HIS . 59.0 tt0 -63.45 -41.74 98.64 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.29 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.452 ' O ' HG23 ' B' ' 83' ' ' THR . 42.3 tp -56.97 -46.86 81.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.402 -179.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.529 ' CE1' HE22 ' A' ' 78' ' ' GLN . 75.6 m80 -66.9 -47.07 72.93 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.751 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.74 -45.17 93.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -62.04 -44.6 96.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.268 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.452 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.6 p -63.2 -46.36 87.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.169 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -62.81 -48.34 79.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.2 ttp -58.81 -48.92 79.62 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.511 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.29 -45.64 93.63 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.168 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.36 81.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.874 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.669 ' HE ' HD12 ' B' ' 48' ' ' LEU . 8.0 tmm_? -58.55 -45.48 88.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.282 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.67 -46.44 89.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.169 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 90' ' ' LEU . 94.2 mt -65.35 -42.2 93.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.169 0.509 . . . . 0.0 110.065 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.498 HD13 ' HB1' ' B' ' 22' ' ' ALA . 67.5 mt -60.79 -41.97 90.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.221 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.7 -45.71 85.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.068 0.461 . . . . 0.0 109.901 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.83 -42.23 98.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.534 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 15.0 mt -60.06 -42.83 95.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.32 -42.95 95.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.504 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.36 -39.1 86.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.486 HD21 ' NE2' ' C' ' 98' ' ' HIS . 39.3 mt -62.32 -40.75 97.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.823 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.9 m80 -59.34 -41.28 88.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.54 -40.59 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.042 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.02 -33.47 75.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.188 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.404 HD21 HD21 ' C' ' 101' ' ' LEU . 50.0 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.398 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.611 ' O ' HG23 ' C' ' 8' ' ' VAL . 98.0 mt . . . . . 0 CA--C 1.52 -0.195 0 CA-C-O 120.629 0.252 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.2 -47.79 78.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 110.332 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -66.71 -36.79 83.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.33 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.516 HG11 HD11 ' C' ' 58' ' ' LEU . 71.8 t -64.07 -42.42 95.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.296 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.611 HG23 ' O ' ' C' ' 4' ' ' LEU . 68.5 t -60.93 -45.26 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.987 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.9 mtp -58.96 -42.1 89.07 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.5 97.43 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' C' ' 11' ' ' LEU . 36.9 mt -63.25 -43.21 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.391 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.407 ' O ' ' OG ' ' C' ' 15' ' ' SER . 93.2 mt -63.34 -44.56 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.742 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.81 -44.49 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.011 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . 0.578 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 52.8 t-20 -60.42 -45.8 92.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.853 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' C' ' 12' ' ' ILE . 78.7 p -59.79 -44.0 94.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.195 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.59 -41.72 99.05 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . 0.456 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -62.89 -42.81 99.91 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.557 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -59.5 -48.04 83.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -61.51 -46.45 89.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.5 p -56.24 -43.42 78.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 74.3 mt -61.99 -41.52 98.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.685 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.477 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -57.11 -48.14 79.36 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -60.16 -41.53 92.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.557 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.76 97.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.67 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -43.84 87.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.584 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.64 -44.82 96.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.425 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -55.7 -42.34 75.09 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.93 -41.46 96.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.88 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.74 94.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.833 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.64 -29.36 70.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.009 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -79.91 -4.58 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.447 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.33 12.87 75.01 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.28 79.93 3.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.73 0.3 . . . . 0.0 110.298 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -64.48 -34.93 79.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.556 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.24 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.091 0.472 . . . . 0.0 110.634 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.06 82.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.378 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.93 -48.12 80.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.53 -43.53 98.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.607 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.36 99.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.45 -41.27 93.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.419 ' O ' ' OG ' ' C' ' 44' ' ' SER . 4.8 mmt -62.3 -41.3 98.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.614 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.51 -44.06 97.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.479 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.22 -41.85 99.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.341 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.8 p -61.14 -46.07 92.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.5 -42.6 96.67 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.318 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.88 -42.95 99.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.298 0.571 . . . . 0.0 110.556 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.65 99.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.327 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.683 HD12 ' HE ' ' C' ' 88' ' ' ARG . 91.1 mt -65.67 -40.45 92.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . 0.4 ' C ' ' OD1' ' C' ' 49' ' ' ASN . 52.6 t-20 -60.86 -42.11 97.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.97 -40.31 94.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.03 0.443 . . . . 0.0 110.06 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . 0.578 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.45 -43.77 84.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.456 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' D' ' 312' ' ' ASN . 12.8 t-80 -63.96 -37.45 87.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.28 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 53' ' ' LEU . 37.4 mt -61.76 -43.14 99.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.329 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.83 -43.47 97.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 0.0 109.981 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.474 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 66.8 tp60 -60.75 -41.12 94.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.326 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 78.1 m -56.6 -44.29 80.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.104 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.89 -39.4 94.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.502 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.516 HD11 HG11 ' C' ' 7' ' ' VAL . 94.5 mt -65.41 -30.54 71.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.755 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 -179.638 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.544 ' O ' HG23 ' C' ' 75' ' ' VAL . 92.8 p . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.987 0.422 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 72' ' ' LEU . 20.9 mt -61.71 -43.1 99.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.658 -177.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.516 HG13 HG21 ' C' ' 8' ' ' VAL . 49.7 t -63.6 -46.41 94.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 130.069 3.348 . . . . 0.0 110.597 -178.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.47 -40.06 92.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.077 0.465 . . . . 0.0 110.977 177.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.544 HG23 ' O ' ' C' ' 71' ' ' SER . 58.9 t -60.58 -48.47 88.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.239 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.67 -47.0 85.97 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.34 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . 0.474 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -64.29 -42.93 96.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.835 0.35 . . . . 0.0 110.362 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.47 -41.09 98.6 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.266 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.442 ' O ' HG23 ' C' ' 83' ' ' THR . 42.4 tp -57.69 -46.76 83.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.513 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . 0.535 ' CE1' HE22 ' B' ' 78' ' ' GLN . 75.5 m80 -66.93 -47.0 73.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.84 -45.25 93.47 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.85 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.83 -44.4 96.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.432 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.442 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.5 p -63.6 -46.56 85.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.208 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 79.3 p -62.61 -48.0 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.588 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -58.86 -49.23 78.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.479 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.27 -45.23 95.36 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.155 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.71 -48.15 82.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.975 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.683 ' HE ' HD12 ' C' ' 48' ' ' LEU . 8.0 tmm_? -58.71 -45.48 89.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.221 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.46 -46.61 89.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.201 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.34 -42.34 93.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.155 0.502 . . . . 0.0 110.013 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.477 HD13 ' HB1' ' C' ' 22' ' ' ALA . 67.8 mt -60.44 -42.13 89.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.378 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.6 m -57.71 -45.55 85.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.081 0.467 . . . . 0.0 110.028 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.99 -42.26 98.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.472 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.533 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.8 mt -59.97 -42.87 95.07 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.28 -42.85 95.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.545 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -60.3 -39.23 86.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.717 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.06 -40.79 96.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.926 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 72.1 m80 -59.5 -41.31 89.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.695 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.72 -40.13 82.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.027 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.3 -33.33 75.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.173 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . 0.404 HD21 HD21 ' B' ' 101' ' ' LEU . 48.7 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.236 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 121.852 0.834 . . . . 0.0 109.03 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.75 142.97 36.75 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.96 156.31 38.64 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.046 -1.034 . . . . 0.0 109.643 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.21 28.5 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.27 152.32 18.99 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.076 -1.015 . . . . 0.0 108.332 178.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.56 37.08 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.113 0.958 . . . . 0.0 110.138 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.86 114.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.84 -4.34 19.37 Favored 'General case' 0 C--N 1.264 -3.116 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.803 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.84 85.83 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 119.65 -1.906 . . . . 0.0 110.628 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -45.58 -47.59 13.18 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 124.783 3.656 . . . . 0.0 114.121 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . 0.58 HD21 ' CE ' ' C' ' 85' ' ' MET . 98.6 m-20 -102.12 27.45 6.63 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 116.178 -2.209 . . . . 0.0 108.787 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.39 -142.53 46.81 Favored Glycine 0 N--CA 1.497 2.722 0 C-N-CA 117.671 -2.204 . . . . 0.0 109.591 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.9 tp -88.77 75.84 8.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.952 -1.323 . . . . 0.0 109.495 -177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.621 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.8 p80 -69.8 176.31 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 117.861 -1.536 . . . . 0.0 112.133 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.543 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.4 p -39.47 -67.19 0.23 Allowed 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 117.196 2.295 . . . . 0.0 117.196 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.543 ' N ' ' OG1' ' D' ' 316' ' ' THR . 7.8 tmm_? -57.24 -51.61 80.43 Favored Pre-proline 0 N--CA 1.493 1.692 0 C-N-CA 120.176 -0.61 . . . . 0.0 112.494 -177.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.9 Cg_endo -64.27 -32.19 62.3 Favored 'Trans proline' 0 C--N 1.317 -1.104 0 C-N-CA 120.568 0.845 . . . . 0.0 111.477 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.488 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.01 -38.83 86.67 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.252 -0.905 . . . . 0.0 109.489 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.474 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.87 -39.79 72.68 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.89 -39.44 94.19 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 117.987 -1.485 . . . . 0.0 109.533 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.31 93.36 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.526 1.155 . . . . 0.0 108.643 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.488 HG23 ' O ' ' D' ' 319' ' ' ALA . 58.0 t -62.7 -42.25 95.4 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.319 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.611 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . 0.517 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.1 mttt -63.88 -40.25 96.1 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.174 -0.954 . . . . 0.0 109.8 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.79 80.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.424 -0.798 . . . . 0.0 109.555 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.0 -44.0 91.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.559 -1.338 . . . . 0.0 109.454 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.27 -16.22 43.27 Favored 'General case' 0 N--CA 1.511 2.576 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.67 86.01 Favored Glycine 0 N--CA 1.479 1.502 0 O-C-N 119.838 -1.789 . . . . 0.0 109.299 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.401 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.44 143.37 32.79 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.224 -1.751 . . . . 0.0 109.979 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.61 -30.11 59.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.278 -0.889 . . . . 0.0 112.302 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.83 158.51 10.42 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.716 -1.865 . . . . 0.0 112.827 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.581 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.81 130.22 35.47 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 102.84 -3.022 . . . . 0.0 102.84 171.251 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.71 136.59 60.38 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-O 122.23 1.014 . . . . 0.0 109.313 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.9 143.13 51.01 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-O 123.065 1.412 . . . . 0.0 110.024 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.1 t -108.03 129.91 61.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.717 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 173.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.48 119.58 26.4 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.731 -1.231 . . . . 0.0 108.972 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.54 122.59 39.26 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.495 -0.753 . . . . 0.0 109.918 177.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.71 39.0 24.38 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.888 -1.133 . . . . 0.0 112.823 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.62 11.03 83.57 Favored Glycine 0 N--CA 1.502 3.085 0 O-C-N 119.942 -1.724 . . . . 0.0 112.492 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.9 136.21 54.59 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.69 158.53 32.98 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-O 123.738 1.732 . . . . 0.0 112.468 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.69 151.4 31.4 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 112.579 -2.101 . . . . 0.0 108.634 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.61 136.0 48.85 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.436 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.81 47.94 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.685 -1.259 . . . . 0.0 110.668 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.49 12.97 31.53 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.665 -1.272 . . . . 0.0 109.381 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 98.8 p -133.1 104.19 6.39 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 122.253 1.025 . . . . 0.0 110.183 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.9 tp -57.29 -37.86 73.08 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.934 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -58.85 -51.36 70.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.56 -1.337 . . . . 0.0 113.117 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.02 -32.5 70.69 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 119.625 -1.922 . . . . 0.0 109.232 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.68 -33.8 75.8 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.974 -177.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -67.65 -10.47 52.54 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.641 -0.662 . . . . 0.0 109.929 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.1 p -89.8 -7.69 53.79 Favored 'General case' 0 N--CA 1.502 2.157 0 C-N-CA 118.091 -1.444 . . . . 0.0 110.94 -178.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.36 159.3 15.32 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.227 -0.921 . . . . 0.0 110.159 -178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.85 2.97 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 106.9 -2.48 . . . . 0.0 106.9 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.4 mt -119.62 47.37 1.73 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.708 -1.466 . . . . 0.0 107.425 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . 0.699 HG22 HG21 ' C' ' 56' ' ' THR . 2.7 p -81.37 172.56 13.41 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.226 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -60.75 140.91 57.4 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.28 -0.968 . . . . 0.0 109.9 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.04 78.91 Favored Glycine 0 N--CA 1.501 2.995 0 C-N-CA 120.069 -1.063 . . . . 0.0 111.338 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.5 135.92 34.03 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.881 -1.364 . . . . 0.0 110.581 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.4 t -96.5 123.78 48.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.483 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.23 160.0 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.277 0 C-N-CA 117.422 -1.711 . . . . 0.0 110.693 178.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.87 128.38 54.86 Favored 'General case' 0 C--O 1.214 -0.816 0 O-C-N 120.55 -1.344 . . . . 0.0 107.594 175.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.89 121.42 60.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.24 50.71 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 -179.569 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.4 47.19 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 118.557 -1.257 . . . . 0.0 109.82 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.73 6.4 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 118.577 -1.249 . . . . 0.0 108.051 178.219 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.27 40.15 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 118.018 -2.039 . . . . 0.0 110.357 178.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.37 -40.58 82.69 Favored 'General case' 0 C--N 1.276 -2.63 0 CA-C-N 114.399 -0.901 . . . . 0.0 112.262 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -114.03 36.78 3.54 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 115.853 -2.339 . . . . 0.0 108.612 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.51 65.82 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.483 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.9 -45.63 27.32 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 119.567 -1.958 . . . . 0.0 110.966 -176.586 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.762 ' NZ ' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.54 -40.68 97.64 Favored 'General case' 0 C--N 1.283 -2.295 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.46 77.79 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 117.449 -1.7 . . . . 0.0 110.038 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.4 t -66.89 -42.24 88.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.242 1.02 . . . . 0.0 109.237 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.88 -47.91 76.54 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 121.992 0.901 . . . . 0.0 108.701 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.762 ' CE1' ' NZ ' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.76 -38.29 76.71 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.769 -178.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.4 mt -75.6 -28.62 58.95 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.346 -1.471 . . . . 0.0 110.865 -174.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.45 70.58 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.394 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.19 63.43 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.3 -45.22 84.37 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.029 -1.069 . . . . 0.0 110.501 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.483 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.37 -37.39 85.53 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.933 -1.104 . . . . 0.0 111.472 -177.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.84 61.7 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.124 -0.985 . . . . 0.0 110.254 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.9 -32.2 45.65 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.521 -0.737 . . . . 0.0 111.362 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.15 125.51 12.48 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.354 2.026 . . . . 0.0 112.852 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.803 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.0 mm-40 . . . . . 0 C--N 1.277 -2.553 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.13 -177.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.643 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.8 mt . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -65.07 -47.22 78.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.882 0.372 . . . . 0.0 110.268 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -67.54 -36.8 81.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 58' ' ' LEU . 82.2 t -64.07 -42.01 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.422 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 4' ' ' LEU . 71.2 t -60.39 -44.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.929 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.9 mtp -59.49 -41.08 89.01 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.32 -41.69 98.07 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.16 -43.05 99.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.879 0.371 . . . . 0.0 110.247 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.17 -43.99 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.517 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 86.8 mt -63.48 -44.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.944 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -61.43 -45.68 93.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.722 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -60.38 -43.8 96.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.018 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.37 -42.17 97.8 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.5 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.7 mm-40 -64.17 -42.81 96.56 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.418 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.69 -48.88 79.6 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -61.18 -47.39 86.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.8 p -54.32 -44.78 72.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.02 -42.66 99.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.706 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.585 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -58.79 -50.25 74.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.34 -42.35 91.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.564 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.11 93.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.738 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.47 -42.54 87.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.618 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.34 -45.18 95.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.459 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.646 ' NZ ' ' NE2' ' A' ' 31' ' ' GLN . 66.1 tttm -55.91 -42.21 75.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.65 -41.69 95.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.774 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.72 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.715 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.15 -29.24 69.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.124 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.646 ' NE2' ' NZ ' ' A' ' 27' ' ' LYS . 88.3 mt-30 -79.52 -4.51 51.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.389 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 12.51 76.39 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -96.04 79.79 3.25 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.73 0.3 . . . . 0.0 110.299 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -64.25 -35.0 79.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.711 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.82 -48.53 78.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.068 0.461 . . . . 0.0 110.69 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.21 -35.06 79.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.321 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.39 -48.02 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.515 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -42.27 98.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.347 . . . . 0.0 110.651 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.3 -42.34 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.77 -40.66 92.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.5 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.439 ' SD ' ' CD1' ' A' ' 95' ' ' ILE . 92.5 mmm -63.32 -41.12 98.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.645 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.84 -43.97 97.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.581 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.68 -40.91 97.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.205 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -61.25 -46.56 89.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.53 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -60.37 -42.05 95.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.265 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtt -61.78 -42.1 98.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.238 0.542 . . . . 0.0 110.624 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.56 98.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.16 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.518 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 99.4 mt -65.22 -39.92 93.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.647 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.04 -41.6 96.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.839 0.352 . . . . 0.0 110.312 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -64.9 -40.63 95.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.157 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.61 82.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.429 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.27 -38.22 88.5 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.394 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.6 -42.78 99.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.343 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.57 -43.72 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.043 0.449 . . . . 0.0 110.018 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -60.33 -42.13 94.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.4 m -56.89 -43.34 81.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.119 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -62.99 -39.38 94.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.572 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.506 HD11 HG11 ' A' ' 7' ' ' VAL . 96.2 mt -63.74 -29.75 70.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.641 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.9 -31.65 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.465 -179.903 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.451 HG23 ' CD2' ' B' ' 72' ' ' LEU . 21.0 m . . . . . 0 N--CA 1.461 0.091 0 CA-C-O 120.89 0.376 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 75' ' ' VAL . 84.5 p -131.85 165.54 23.61 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 178.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.21 -43.39 82.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.599 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.509 HG13 HG21 ' A' ' 8' ' ' VAL . 55.2 t -62.74 -45.55 98.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.887 0.375 . . . . 0.0 110.544 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.88 -39.9 93.55 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-O 121.081 0.467 . . . . 0.0 110.981 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 71' ' ' SER . 53.3 t -59.34 -47.51 90.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.189 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -58.44 -45.81 87.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.776 0.322 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.21 -41.66 99.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.756 0.312 . . . . 0.0 110.694 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.69 -39.88 95.42 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.195 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 83' ' ' THR . 30.5 tp -56.74 -47.77 79.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.367 -179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -66.58 -46.33 76.34 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.739 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.16 -45.7 92.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.805 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.53 -44.13 97.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.221 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.9 p -62.98 -46.9 85.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.4 t -62.95 -47.47 83.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.418 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 31.7 ttm -58.86 -48.22 82.15 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.566 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.699 HD13 HH12 ' B' ' 19' ' ' ARG . 54.8 tp -60.97 -44.98 96.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.103 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.13 90.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.855 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.518 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 7.8 tmm_? -61.66 -45.66 93.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.064 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.63 -48.29 82.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.15 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.13 -40.82 97.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.102 0.477 . . . . 0.0 109.81 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.585 HD13 ' HB1' ' A' ' 22' ' ' ALA . 33.0 mt -60.18 -41.76 87.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.299 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.6 m -57.47 -45.81 84.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.043 0.449 . . . . 0.0 109.863 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.95 -42.27 99.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.516 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.27 -43.07 96.5 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.439 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 88.2 mt -60.9 -43.2 95.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.473 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -59.3 -38.89 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.098 0.475 . . . . 0.0 109.788 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.44 -41.12 98.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.869 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -59.3 -41.06 88.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -59.44 -41.5 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.18 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.79 -34.13 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.25 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.48 HD21 HD21 ' B' ' 101' ' ' LEU . 36.6 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.397 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.658 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.8 mt . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.642 0.258 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.17 -47.42 77.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.303 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -67.42 -36.69 81.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.16 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.499 HG11 HD11 ' B' ' 58' ' ' LEU . 83.3 t -64.14 -42.0 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.362 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.658 HG23 ' O ' ' B' ' 4' ' ' LEU . 71.1 t -60.58 -44.27 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.846 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.74 -40.9 89.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.59 -41.75 97.69 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 11' ' ' LEU . 88.0 mt -63.18 -42.64 99.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.828 0.346 . . . . 0.0 110.415 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.73 -43.89 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.694 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.42 -44.21 98.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.918 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -61.43 -45.65 93.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.893 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -60.18 -44.01 95.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.101 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.24 97.89 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.505 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.6 mm-40 -63.99 -42.79 97.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . 0.407 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.88 -48.52 81.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.906 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.699 HH12 HD13 ' A' ' 86' ' ' LEU . 63.2 ttm-85 -61.29 -47.32 86.5 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 79.3 p -54.26 -45.09 72.33 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.69 -42.7 99.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.713 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.549 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -59.1 -50.09 75.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.41 -42.14 91.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.704 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.43 94.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.704 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.52 86.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.611 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.39 -45.32 94.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.305 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.644 ' NZ ' ' NE2' ' B' ' 31' ' ' GLN . 65.8 tttm -55.92 -42.03 75.46 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.99 -41.45 96.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.876 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.52 94.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.598 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.31 -29.35 69.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.062 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.644 ' NE2' ' NZ ' ' B' ' 27' ' ' LYS . 88.2 mt-30 -79.56 -4.29 50.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.337 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.79 12.72 76.84 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -96.07 79.62 3.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.858 0.361 . . . . 0.0 110.31 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -64.27 -34.86 79.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.604 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.66 78.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 110.822 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.19 -34.9 79.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.44 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.51 -48.01 79.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.548 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.63 -42.69 99.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.849 0.357 . . . . 0.0 110.606 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.49 99.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.693 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.76 -40.34 91.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.436 ' SD ' ' CD1' ' B' ' 95' ' ' ILE . 92.4 mmm -63.65 -41.04 98.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.17 -43.6 98.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.415 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.79 -41.11 97.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.33 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.08 -46.78 89.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.433 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -60.11 -42.23 94.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.288 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 60.7 mtt -61.36 -42.65 99.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.307 0.575 . . . . 0.0 110.672 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.5 99.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.155 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.528 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 98.2 mt -65.27 -39.94 93.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.735 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.88 -41.7 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.369 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.88 -40.7 95.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.156 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.9 82.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.455 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.94 -38.68 89.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.313 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.96 -43.22 99.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.319 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.27 -44.15 97.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.036 0.446 . . . . 0.0 109.99 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -60.07 -42.15 93.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.21 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -56.89 -43.59 81.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.919 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -62.86 -39.36 94.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.934 0.397 . . . . 0.0 110.615 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.499 HD11 HG11 ' B' ' 7' ' ' VAL . 96.3 mt -63.64 -29.47 70.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.706 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.23 -31.59 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.796 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.522 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.493 HG23 ' CD2' ' C' ' 72' ' ' LEU . 24.9 m . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.887 0.375 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . 0.428 ' O ' HG23 ' B' ' 75' ' ' VAL . 88.1 p -130.51 167.12 19.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.476 -178.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . 0.451 ' CD2' HG23 ' A' ' 70' ' ' VAL . 8.3 tt -59.76 -42.97 94.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.536 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.489 HG13 HG21 ' B' ' 8' ' ' VAL . 56.1 t -62.25 -44.94 99.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.608 -178.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.23 -39.12 91.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.123 0.487 . . . . 0.0 110.935 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 71' ' ' SER . 53.5 t -60.04 -47.43 91.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.256 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.6 -45.51 88.98 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.79 98.78 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.929 0.395 . . . . 0.0 110.426 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.5 -39.72 95.17 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.242 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.476 ' O ' HG23 ' B' ' 83' ' ' THR . 29.4 tp -56.99 -47.4 80.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.433 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -67.02 -46.34 74.78 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.701 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.84 -45.91 91.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.817 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.43 -43.98 97.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.247 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.476 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.3 p -63.14 -47.16 83.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.136 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 37.5 t -62.45 -47.44 84.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 32.0 ttm -58.91 -48.78 80.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.431 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.689 HD13 HH12 ' C' ' 19' ' ' ARG . 54.6 tp -60.6 -45.08 95.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.141 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.62 88.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.867 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.528 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 7.8 tmm_? -60.96 -46.08 92.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.291 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.446 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.9 mt-10 -60.33 -48.35 82.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.15 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.94 -40.94 97.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.08 0.467 . . . . 0.0 110.02 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.549 HD13 ' HB1' ' B' ' 22' ' ' ALA . 32.6 mt -60.2 -41.89 88.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.227 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 18.1 m -57.39 -45.58 84.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.012 0.435 . . . . 0.0 109.829 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.16 -42.01 99.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.491 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.43 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 83.2 mt -60.45 -42.92 97.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.436 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 89.3 mt -61.08 -42.89 94.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.546 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -59.58 -39.08 82.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.708 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.35 -41.34 98.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.836 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.0 m80 -58.9 -41.28 86.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.802 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -59.48 -41.26 89.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.111 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.95 -34.0 76.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.487 HD21 HD21 ' C' ' 101' ' ' LEU . 37.8 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.366 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.655 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.4 mt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 120.594 0.235 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -64.87 -47.34 78.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 0.0 110.404 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -67.42 -36.87 82.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.352 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.48 HG11 HD11 ' C' ' 58' ' ' LEU . 83.8 t -64.06 -42.07 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.378 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.655 HG23 ' O ' ' C' ' 4' ' ' LEU . 70.4 t -60.32 -44.66 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.975 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.6 mtp -59.35 -41.11 88.47 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.2 -41.86 98.16 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.9 -43.19 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 110.424 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.18 -43.88 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.742 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.57 -44.15 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.101 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -61.34 -45.72 93.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.752 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -60.27 -44.04 95.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.168 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.24 -42.29 97.95 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . 0.489 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.2 mm-40 -63.85 -42.5 97.56 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.06 79.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.689 HH12 HD13 ' B' ' 86' ' ' LEU . 63.3 ttm-85 -60.83 -47.54 85.91 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.7 p -54.27 -44.83 72.18 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.76 -42.78 99.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.739 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.576 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -58.88 -50.44 73.99 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.446 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.1 m-85 -59.0 -42.76 90.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.556 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.21 92.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.755 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.77 87.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.601 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.28 -45.27 95.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.442 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . 0.653 ' NZ ' HE21 ' C' ' 31' ' ' GLN . 66.1 tttm -55.78 -42.25 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.91 -41.65 96.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.92 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.09 93.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.814 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.78 -29.24 70.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.065 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.653 HE21 ' NZ ' ' C' ' 27' ' ' LYS . 88.1 mt-30 -79.29 -4.43 50.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.21 12.18 76.82 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -95.89 80.37 3.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.754 0.312 . . . . 0.0 110.208 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -64.75 -35.12 80.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.526 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.38 79.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.046 0.451 . . . . 0.0 110.67 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -34.99 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.342 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.58 81.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.487 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.04 -42.96 99.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.61 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.6 99.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.759 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.67 -40.67 92.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.437 ' SD ' ' CD1' ' C' ' 95' ' ' ILE . 92.4 mmm -63.41 -41.44 98.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.584 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.85 -43.99 97.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.417 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.14 -41.2 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.318 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -61.18 -46.64 89.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.501 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.23 -42.33 94.98 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.334 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.9 mtt -61.18 -42.95 99.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.304 0.573 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.72 99.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.315 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.519 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 97.3 mt -65.19 -39.53 92.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.782 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.68 -40.94 96.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.397 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.55 -40.52 92.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.014 0.435 . . . . 0.0 110.068 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.4 -44.73 82.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.51 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.06 -38.24 88.03 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.39 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.51 -43.12 99.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.321 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.22 -43.81 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.019 0.438 . . . . 0.0 109.982 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.34 -42.11 95.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.228 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.699 HG21 HG22 ' D' ' 356' ' ' THR . 16.8 m -56.88 -43.21 81.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.123 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -63.2 -39.44 94.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.53 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.48 HD11 HG11 ' C' ' 7' ' ' VAL . 95.9 mt -63.45 -29.67 70.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.754 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.819 -179.728 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . 0.459 ' O ' HG23 ' C' ' 75' ' ' VAL . 87.7 p . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 121.052 0.453 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . 0.493 ' CD2' HG23 ' B' ' 70' ' ' VAL . 7.5 tt -60.27 -43.72 95.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.731 -177.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.47 HG13 HG21 ' C' ' 8' ' ' VAL . 54.4 t -62.59 -45.63 98.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 130.042 3.337 . . . . 0.0 110.602 -178.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.94 -39.03 93.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.999 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . 0.459 HG23 ' O ' ' C' ' 71' ' ' SER . 54.6 t -60.1 -47.86 90.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.169 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.64 -45.6 88.93 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.352 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.78 98.56 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.871 0.367 . . . . 0.0 110.398 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.59 -39.74 95.16 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.32 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.475 ' O ' HG23 ' C' ' 83' ' ' THR . 29.1 tp -56.76 -47.85 79.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.45 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -66.62 -46.36 76.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.668 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.19 -45.47 93.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.8 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.68 -43.93 97.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.359 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.475 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.8 p -63.09 -46.94 85.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.195 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 36.1 t -62.78 -47.43 83.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . 0.58 ' CE ' HD21 ' D' ' 312' ' ' ASN . 31.7 ttm -59.02 -48.59 81.03 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.475 -179.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.71 -44.91 96.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.398 . . . . 0.0 110.195 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.48 88.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.981 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . 0.519 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 8.0 tmm_? -61.18 -46.2 91.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.211 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.13 -48.32 82.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.208 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.09 -41.14 97.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.183 0.516 . . . . 0.0 110.017 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.576 HD13 ' HB1' ' C' ' 22' ' ' ALA . 33.1 mt -59.9 -41.9 87.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.367 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -57.3 -45.44 84.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.129 0.49 . . . . 0.0 109.993 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.37 -42.01 98.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.456 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.458 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 84.1 mt -60.34 -42.86 96.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . 0.437 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 88.5 mt -61.16 -43.08 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.513 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.2 -39.11 81.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.129 0.49 . . . . 0.0 109.781 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.44 -41.24 98.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.831 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.458 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.1 m80 -59.09 -41.2 87.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.77 -40.87 89.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.081 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.09 -33.95 76.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.167 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . 0.487 HD21 HD21 ' B' ' 101' ' ' LEU . 37.0 mt . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.323 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 301' ' ' MET . . . . . 0.529 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.82 0.819 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.88 142.98 36.48 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.523 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.36 38.7 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.968 -1.083 . . . . 0.0 109.535 179.196 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.21 28.54 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.572 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.36 18.94 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.101 -1.0 . . . . 0.0 108.425 178.306 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.87 144.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.58 136.61 36.86 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.007 0.908 . . . . 0.0 110.178 177.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -85.0 114.34 25.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 105.326 -2.101 . . . . 0.0 105.326 177.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.88 -4.29 19.35 Favored 'General case' 0 C--N 1.265 -3.075 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 310' ' ' ALA . . . . . 0.813 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.58 141.84 85.66 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 119.686 -1.884 . . . . 0.0 110.564 178.76 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.43 -47.76 12.62 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 124.731 3.62 . . . . 0.0 114.115 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -102.12 27.53 6.57 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 116.125 -2.23 . . . . 0.0 108.746 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.02 -143.36 47.23 Favored Glycine 0 N--CA 1.497 2.758 0 C-N-CA 117.62 -2.229 . . . . 0.0 109.576 -179.088 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 314' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.6 tp -88.46 73.3 8.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.942 -1.328 . . . . 0.0 109.493 -177.22 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 315' ' ' HIS . . . . . 0.654 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.4 p80 -65.73 176.67 1.47 Allowed 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 117.856 -1.538 . . . . 0.0 112.183 -178.524 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 316' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.5 p -41.26 -66.85 0.29 Allowed 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 -176.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 317' ' ' ARG . . . . . 0.53 ' N ' ' OG1' ' D' ' 316' ' ' THR . 1.7 tmt_? -56.32 -51.27 82.27 Favored Pre-proline 0 N--CA 1.493 1.684 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.525 -177.521 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 318' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.7 Cg_endo -64.42 -32.23 60.6 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 CA-C-N 119.3 0.786 . . . . 0.0 111.426 -178.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 319' ' ' ALA . . . . . 0.468 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.78 86.66 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.284 -0.885 . . . . 0.0 109.529 -179.364 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 320' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -71.02 -39.71 72.21 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -63.94 -39.42 94.1 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.042 -1.463 . . . . 0.0 109.492 177.118 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.71 -45.3 93.41 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.614 1.197 . . . . 0.0 108.672 -177.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 323' ' ' VAL . . . . . 0.468 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.3 t -62.69 -42.23 95.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.618 -179.548 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.87 -40.27 96.15 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.731 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.81 -39.74 79.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 109.565 178.02 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.99 91.62 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.657 -1.277 . . . . 0.0 109.439 178.558 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.42 -16.13 43.71 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.53 86.14 Favored Glycine 0 N--CA 1.479 1.553 0 O-C-N 119.931 -1.731 . . . . 0.0 109.347 179.083 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.35 32.83 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.338 -1.684 . . . . 0.0 109.98 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.1 p -75.61 -30.13 59.46 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.313 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.66 158.53 9.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 119.817 -1.802 . . . . 0.0 112.841 -179.227 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.24 35.39 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 102.792 -3.04 . . . . 0.0 102.792 171.242 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.72 136.56 60.45 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.41 0 CA-C-O 122.163 0.982 . . . . 0.0 109.351 -178.347 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.93 143.16 51.01 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-O 123.121 1.439 . . . . 0.0 110.033 178.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.1 t -108.05 129.97 61.34 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.737 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 173.071 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 336' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.7 m -127.47 119.53 26.31 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.87 -1.144 . . . . 0.0 108.909 -178.369 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.6 122.62 39.29 Favored 'General case' 0 N--CA 1.5 2.072 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.884 177.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 38.9 24.14 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.851 -1.155 . . . . 0.0 112.792 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.71 11.03 83.47 Favored Glycine 0 N--CA 1.501 3.013 0 O-C-N 119.944 -1.722 . . . . 0.0 112.491 177.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.9 136.26 54.57 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 177.522 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.74 158.54 33.02 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-O 123.751 1.739 . . . . 0.0 112.416 -175.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.36 31.31 Favored 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 112.513 -2.13 . . . . 0.0 108.579 177.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.58 135.91 48.84 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.92 -6.74 47.21 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.737 -1.227 . . . . 0.0 110.739 179.274 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.56 12.96 31.69 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.605 -1.309 . . . . 0.0 109.32 -177.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.8 p -133.05 104.17 6.4 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 122.199 1.0 . . . . 0.0 110.146 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 347' ' ' LEU . . . . . 0.533 HD22 ' CE ' ' A' ' 9' ' ' MET . 56.9 tp -57.2 -38.0 73.02 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.891 178.275 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.87 -51.32 70.52 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.637 -1.29 . . . . 0.0 113.07 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.39 70.38 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 119.537 -1.977 . . . . 0.0 109.2 -178.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.79 75.88 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.921 -177.515 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 351' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -67.65 -10.5 52.74 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.67 -0.644 . . . . 0.0 109.92 -177.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.3 p -89.71 -7.77 53.82 Favored 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 118.117 -1.433 . . . . 0.0 110.917 -178.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.1 mt -93.37 159.28 15.33 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.221 -0.924 . . . . 0.0 110.163 -178.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.91 2.97 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 106.846 -2.501 . . . . 0.0 106.846 177.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.1 mt -119.68 47.47 1.71 Allowed 'General case' 0 C--N 1.308 -1.2 0 O-C-N 120.694 -1.474 . . . . 0.0 107.403 -178.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 61.9 p -81.5 172.52 13.4 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.836 -1.145 . . . . 0.0 109.155 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.71 140.91 57.35 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.901 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.47 -3.25 78.87 Favored Glycine 0 N--CA 1.501 2.986 0 C-N-CA 119.968 -1.111 . . . . 0.0 111.325 177.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.45 136.01 34.02 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.842 -1.387 . . . . 0.0 110.58 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 91.2 t -96.65 123.77 49.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 176.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.14 160.11 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.317 0 C-N-CA 117.424 -1.71 . . . . 0.0 110.635 178.658 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 362' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.95 128.41 54.91 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.497 -1.377 . . . . 0.0 107.552 175.441 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 363' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.9 121.43 60.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 176.354 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.66 147.25 50.73 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 -179.523 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.78 153.45 47.14 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 118.5 -1.28 . . . . 0.0 109.684 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 366' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.72 6.4 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 118.538 -1.265 . . . . 0.0 108.071 178.187 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.29 -170.29 40.17 Favored Glycine 0 C--N 1.296 -1.677 0 C-N-CA 117.971 -2.062 . . . . 0.0 110.345 178.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.39 -40.63 82.89 Favored 'General case' 0 C--N 1.275 -2.658 0 CA-C-N 114.445 -0.878 . . . . 0.0 112.163 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.06 36.8 3.54 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 115.906 -2.318 . . . . 0.0 108.621 -178.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.49 65.78 Favored 'General case' 0 N--CA 1.521 3.114 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -174.049 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 371' ' ' GLN . . . . . 0.44 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.9 -45.77 26.82 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.597 -1.939 . . . . 0.0 110.919 -176.526 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' D' D ' 372' ' ' LYS . . . . . 0.777 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.64 97.59 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.264 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.47 77.74 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 117.481 -1.688 . . . . 0.0 110.057 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.93 -42.16 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-O 122.176 0.988 . . . . 0.0 109.277 -178.137 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.84 -47.87 76.5 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-O 122.085 0.945 . . . . 0.0 108.82 -178.352 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 376' ' ' HIS . . . . . 0.777 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.83 -38.28 76.49 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.699 -178.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 377' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.1 mt -75.7 -28.54 58.65 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.42 -1.425 . . . . 0.0 110.846 -174.23 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.51 -39.51 70.71 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.428 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.28 62.92 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.26 -45.14 84.28 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.565 177.575 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.4 -37.39 85.59 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.941 -1.099 . . . . 0.0 111.468 -177.468 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.06 -1.025 . . . . 0.0 110.285 -178.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.87 -32.3 45.9 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.548 -0.72 . . . . 0.0 111.387 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.03 125.52 12.3 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 124.292 1.996 . . . . 0.0 112.911 178.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 385' ' ' GLU . . . . . 0.813 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 47.6 mt-10 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.126 -2.761 . . . . 0.0 110.097 -177.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.7 mt . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.23 -46.7 79.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.915 0.388 . . . . 0.0 110.309 179.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.46 -35.03 77.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.257 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.415 ' CG1' HD11 ' A' ' 58' ' ' LEU . 87.7 t -64.56 -42.87 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.384 -179.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 4' ' ' LEU . 86.5 t -60.81 -43.84 96.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.977 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.533 ' CE ' HD22 ' D' ' 347' ' ' LEU . 93.2 mtp -59.33 -41.03 88.18 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.2 -42.12 96.53 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 mt -63.31 -42.34 99.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.15 179.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.34 -44.08 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.704 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.524 HD11 ' HB1' ' D' ' 320' ' ' ALA . 83.7 mt -63.2 -44.09 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.988 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.33 -45.52 94.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.82 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 t -60.64 -44.01 96.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.002 179.554 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.21 -43.03 97.66 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.73 -45.13 94.14 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.43 79.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.859 179.413 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.643 ' NH2' ' CZ ' ' A' ' 23' ' ' TYR . 77.4 ttt-85 -60.29 -47.27 86.72 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.589 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -54.78 -43.81 73.15 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.34 -43.2 98.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.687 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.615 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.38 -50.2 74.88 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.643 ' CZ ' ' NH2' ' A' ' 19' ' ' ARG . 8.0 m-85 -59.51 -42.44 92.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.532 179.508 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.19 93.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.785 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -42.73 83.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.68 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.39 -44.75 96.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.451 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -56.11 -42.17 76.39 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.09 -41.49 96.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.743 179.161 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.65 94.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.698 179.263 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.07 -29.54 69.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.145 179.067 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -80.51 -4.72 54.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.499 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.9 14.18 73.16 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.61 79.73 2.75 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 120.729 0.3 . . . . 0.0 110.331 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -65.23 -34.72 79.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.66 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.36 -49.42 73.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.083 0.468 . . . . 0.0 110.747 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.67 81.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.381 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.85 -48.5 78.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -60.09 -42.98 95.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.632 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.19 94.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.78 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -64.94 -41.53 95.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.493 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.528 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 98.5 mmm -63.13 -40.19 96.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.606 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -62.32 -43.99 97.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.024 0.44 . . . . 0.0 110.621 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.64 -40.45 96.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.206 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.7 p -61.74 -45.44 93.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.532 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -59.79 -42.94 94.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.247 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.0 ttp -60.38 -44.41 95.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.215 0.531 . . . . 0.0 110.593 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.96 99.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.25 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.31 -40.69 96.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.683 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 49' ' ' ASN . 51.1 t-20 -60.7 -41.69 95.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.302 -179.511 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.72 -40.3 95.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.071 0.463 . . . . 0.0 110.265 179.437 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.26 78.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.486 179.403 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.575 ' O ' HG23 ' A' ' 56' ' ' THR . 59.9 t-80 -60.98 -39.0 87.97 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.437 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.482 ' O ' ' OG1' ' A' ' 56' ' ' THR . 40.2 mt -60.66 -44.3 96.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.9 t -65.08 -43.36 95.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.02 0.438 . . . . 0.0 110.066 178.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.756 ' NE2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -58.87 -44.85 91.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.207 -179.882 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 52' ' ' HIS . 40.5 p -58.07 -39.54 78.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.983 -179.519 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -64.07 -40.48 96.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.4 . . . . 0.0 110.504 179.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' A' ' 4' ' ' LEU . 96.0 mt -64.29 -29.92 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.638 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.756 HD11 ' NE2' ' A' ' 55' ' ' GLN . 96.7 mt -78.29 -30.76 15.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.772 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 179.808 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 71' ' ' SER . 20.1 m . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 120.93 0.395 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.435 ' N ' HG23 ' A' ' 70' ' ' VAL . 83.8 p -133.13 167.59 20.06 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 178.462 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 tp -56.73 -43.4 80.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.626 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG13 HG21 ' A' ' 8' ' ' VAL . 69.3 t -62.72 -44.96 99.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.532 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.46 -40.19 93.61 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.002 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.43 -47.03 92.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.172 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -58.11 -46.15 86.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.789 0.328 . . . . 0.0 110.301 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.37 98.86 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.817 0.341 . . . . 0.0 110.636 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.753 ' NE2' HE21 ' A' ' 55' ' ' GLN . 94.0 mm-40 -61.78 -39.62 92.31 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.139 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 83' ' ' THR . 42.5 tp -58.39 -46.63 86.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.364 -179.121 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -67.68 -48.45 66.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.689 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.24 -44.94 96.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.81 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.0 -42.63 99.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.228 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.1 p -64.82 -46.12 83.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.117 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.44 -49.56 74.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.56 -47.89 80.82 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.514 -179.282 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.89 -44.64 96.39 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.088 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.43 80.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.86 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -58.73 -45.18 90.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.141 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.579 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 97.4 mt-10 -60.91 -44.16 97.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.078 -179.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.41 -42.92 95.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.216 0.531 . . . . 0.0 109.851 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.615 HD12 ' HB1' ' A' ' 22' ' ' ALA . 74.0 mt -59.95 -42.18 88.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.29 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.528 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 18.1 m -57.1 -45.51 83.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.037 0.446 . . . . 0.0 109.949 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.3 -43.89 96.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.254 0.549 . . . . 0.0 109.569 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 85.5 mt -59.87 -43.71 94.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.89 -43.13 97.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.468 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.403 ' HG2' ' NZ ' ' A' ' 100' ' ' LYS . 81.9 tt0 -61.8 -39.6 92.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.749 179.302 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 97' ' ' LEU . 36.5 mt -62.1 -41.52 98.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.84 179.616 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.6 m80 -59.25 -38.97 81.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.204 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -61.44 -39.81 92.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.168 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.403 ' NZ ' ' HG2' ' A' ' 96' ' ' GLU . 61.4 mttp -63.5 -39.15 93.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.199 179.589 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.8 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.464 179.8 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.679 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.7 mt . . . . . 0 N--CA 1.456 -0.16 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.17 -46.72 79.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.929 0.395 . . . . 0.0 110.335 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -68.27 -35.04 77.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.245 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.416 ' CG1' HD11 ' B' ' 58' ' ' LEU . 86.0 t -64.7 -42.98 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.348 -179.768 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 4' ' ' LEU . 87.9 t -60.81 -43.74 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.869 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.46 -41.12 88.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.39 96.88 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' B' ' 11' ' ' LEU . 36.2 mt -63.07 -42.36 99.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.347 . . . . 0.0 110.376 179.545 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.44 -44.01 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.676 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.27 -44.35 99.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.887 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.05 -45.61 94.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.887 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 35.8 t -60.61 -43.93 96.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.067 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.18 -42.98 97.75 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -62.79 -45.49 92.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.97 -48.71 77.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.892 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.643 ' NH2' ' CZ ' ' B' ' 23' ' ' TYR . 77.4 ttt-85 -60.0 -47.22 86.71 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -54.83 -43.98 73.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.14 -43.21 98.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.7 179.022 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.616 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.4 -50.15 75.06 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.751 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . 0.643 ' CZ ' ' NH2' ' B' ' 19' ' ' ARG . 8.0 m-85 -59.53 -42.51 92.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.686 179.402 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.05 93.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.753 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.98 83.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.658 179.036 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.14 -45.22 95.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.314 179.104 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -55.76 -42.22 75.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.95 -41.49 96.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.88 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.69 94.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.689 179.269 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.09 -29.54 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.089 179.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -80.67 -4.6 54.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.336 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.05 13.99 73.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.52 79.72 2.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 110.275 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -65.45 -34.76 79.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.596 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.78 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.0 0.428 . . . . 0.0 110.841 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.08 -35.57 80.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.416 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.18 79.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.576 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -60.23 -43.03 96.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.76 0.314 . . . . 0.0 110.58 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.47 95.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.669 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.3 mmm -64.86 -41.18 95.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' MET . . . . . 0.524 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.4 mmm -63.59 -39.84 95.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.532 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -62.76 -43.89 97.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.468 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.65 -40.47 96.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.353 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.4 p -61.69 -45.35 94.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.465 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.0 -42.85 95.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.22 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 64.9 ttp -60.41 -44.29 95.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.251 0.548 . . . . 0.0 110.609 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.32 -42.35 99.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.198 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.99 -40.55 95.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.71 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 49' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 51.2 t-20 -60.41 -41.81 94.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.376 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.97 -40.21 94.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.156 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.79 -45.27 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.424 179.371 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 52' ' ' HIS . . . . . 0.583 ' O ' HG23 ' B' ' 56' ' ' THR . 59.9 t-80 -60.99 -39.05 88.19 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 53' ' ' LEU . . . . . 0.483 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.5 mt -60.5 -44.19 96.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.387 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.46 -43.18 94.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.069 0.462 . . . . 0.0 110.037 178.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.748 ' NE2' HD11 ' B' ' 59' ' ' ILE . 0.0 OUTLIER -58.89 -44.95 91.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.275 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.583 HG23 ' O ' ' B' ' 52' ' ' HIS . 40.7 p -58.0 -39.95 79.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.934 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -63.6 -40.75 97.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.979 0.419 . . . . 0.0 110.555 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.445 HD22 ' CD2' ' B' ' 4' ' ' LEU . 96.0 mt -63.99 -29.96 71.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.703 -179.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . 0.748 HD11 ' NE2' ' B' ' 55' ' ' GLN . 96.7 mt -78.28 -30.73 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.822 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.8 m . . . . . 0 N--CA 1.463 0.186 0 CA-C-O 120.839 0.352 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 89.3 p -132.39 168.56 17.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.594 -178.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.83 -43.1 90.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.551 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.507 HG13 HG21 ' B' ' 8' ' ' VAL . 66.8 t -61.93 -44.64 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.593 -178.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.62 -39.47 91.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.088 0.471 . . . . 0.0 110.957 -178.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 51.1 t -59.84 -47.1 92.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.258 -179.175 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.79 -45.42 89.88 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.362 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.34 98.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.953 0.406 . . . . 0.0 110.456 179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 78' ' ' GLN . . . . . 0.741 ' NE2' HE21 ' B' ' 55' ' ' GLN . 93.8 mm-40 -61.91 -39.57 92.46 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.181 179.527 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' B' ' 83' ' ' THR . 42.8 tp -58.34 -46.66 85.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.401 -179.221 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.8 -48.11 67.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.693 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.74 -44.8 96.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 -179.102 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.8 -43.11 99.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.253 -179.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.3 p -64.35 -46.33 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.149 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -62.17 -49.8 74.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.605 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -57.25 -47.84 80.36 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.438 -179.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.03 -44.64 96.27 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.11 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.79 78.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.926 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -58.54 -45.11 89.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.214 -179.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 97.9 mt-10 -60.99 -44.26 97.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.213 -179.763 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.26 -42.62 96.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.095 0.474 . . . . 0.0 110.073 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.616 HD12 ' HB1' ' B' ' 22' ' ' ALA . 74.7 mt -60.26 -41.83 88.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.251 179.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.524 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 18.0 m -57.37 -45.55 84.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.115 0.483 . . . . 0.0 109.913 179.469 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.51 -43.59 96.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.462 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.569 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 85.9 mt -59.88 -43.77 94.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.97 -43.29 97.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.504 179.354 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 96' ' ' GLU . . . . . 0.406 ' HG2' ' NZ ' ' B' ' 100' ' ' LYS . 81.3 tt0 -61.66 -39.9 92.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.671 179.431 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.3 mt -61.89 -41.41 97.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.77 179.655 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.7 m80 -59.33 -39.09 82.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.263 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -61.18 -40.03 92.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.037 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 100' ' ' LYS . . . . . 0.406 ' NZ ' ' HG2' ' B' ' 96' ' ' GLU . 61.5 mttp -63.37 -38.97 93.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.231 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.331 179.709 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . 0.663 ' O ' HG23 ' C' ' 8' ' ' VAL . 94.8 mt . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.594 0.235 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.17 -46.4 80.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.838 0.351 . . . . 0.0 110.362 179.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -68.67 -34.97 76.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.278 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 7' ' ' VAL . . . . . 0.414 ' CG1' HD11 ' C' ' 58' ' ' LEU . 89.1 t -64.69 -42.77 95.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 -179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . 0.663 HG23 ' O ' ' C' ' 4' ' ' LEU . 89.7 t -60.85 -43.67 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.033 179.653 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mtp -59.63 -40.7 88.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.26 -42.59 96.16 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 179.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 11' ' ' LEU . 36.5 mt -62.8 -42.55 99.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.368 179.593 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.06 -44.04 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.7 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 83.5 mt -63.29 -44.31 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.039 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.09 -45.45 94.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.82 179.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t -60.64 -44.13 96.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.179 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.75 -43.19 98.12 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -62.9 -45.02 94.48 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.5 -48.49 79.1 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . 0.637 ' NH2' ' CZ ' ' C' ' 23' ' ' TYR . 77.7 ttt-85 -60.21 -47.23 86.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.75 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -54.96 -43.93 73.9 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.18 -43.08 99.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.682 179.119 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . 0.616 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.54 -50.16 74.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 23' ' ' TYR . . . . . 0.637 ' CZ ' ' NH2' ' C' ' 19' ' ' ARG . 8.0 m-85 -59.51 -42.62 92.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.519 179.485 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.71 92.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.731 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.99 -42.64 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.658 179.19 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.19 -45.14 95.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.426 178.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -55.92 -42.31 75.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.93 -41.47 96.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.924 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.55 93.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.819 179.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.57 -29.41 70.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.119 179.095 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -80.29 -4.65 54.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.465 179.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.7 14.17 73.76 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.51 79.9 2.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.794 0.331 . . . . 0.0 110.209 179.591 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -65.49 -34.75 79.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.493 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.0 72.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.059 0.457 . . . . 0.0 110.68 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.57 81.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.408 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.62 77.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.407 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -59.69 -43.22 94.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.588 -179.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.58 95.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -64.94 -41.39 95.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 41' ' ' MET . . . . . 0.54 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 98.3 mmm -63.25 -40.18 96.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.622 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -62.52 -43.91 97.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.876 0.369 . . . . 0.0 110.4 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.63 -40.31 96.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.271 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 44' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.1 p -62.0 -45.37 93.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 -179.818 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -59.85 -42.85 94.55 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.352 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.28 -44.38 95.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.313 0.578 . . . . 0.0 110.577 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.78 99.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.325 179.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 48' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' C' ' 48' ' ' LEU . 92.5 mt -64.42 -40.42 95.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.698 179.268 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -60.99 -41.57 96.73 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.277 -179.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -64.74 -40.75 95.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.028 179.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.24 80.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.439 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 52' ' ' HIS . . . . . 0.589 ' O ' HG23 ' C' ' 56' ' ' THR . 60.0 t-80 -61.2 -38.89 88.18 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.346 -179.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 53' ' ' LEU . . . . . 0.495 ' O ' ' OG1' ' C' ' 56' ' ' THR . 39.2 mt -60.83 -44.19 97.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.235 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 66.1 t -65.36 -43.22 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.045 0.45 . . . . 0.0 109.927 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 55' ' ' GLN . . . . . 0.765 ' NE2' HD11 ' C' ' 59' ' ' ILE . 0.0 OUTLIER -58.88 -45.09 91.03 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.275 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 56' ' ' THR . . . . . 0.589 HG23 ' O ' ' C' ' 52' ' ' HIS . 41.3 p -57.88 -39.44 77.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.197 -179.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -64.26 -40.56 96.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.445 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 58' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' C' ' 4' ' ' LEU . 96.1 mt -63.82 -30.21 71.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.768 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . 0.765 HD11 ' NE2' ' C' ' 55' ' ' GLN . 96.8 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 88.2 p . . . . . 0 C--O 1.226 -0.141 0 CA-C-O 121.036 0.446 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 50.2 tp -58.86 -44.12 90.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.653 -177.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 73' ' ' VAL . . . . . 0.508 HG13 HG21 ' C' ' 8' ' ' VAL . 62.7 t -62.54 -44.85 99.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 130.06 3.344 . . . . 0.0 110.633 -178.052 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.58 -39.29 94.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 177.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.03 -48.0 89.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.193 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.41 -45.86 87.57 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.45 98.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.864 0.364 . . . . 0.0 110.363 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 78' ' ' GLN . . . . . 0.753 ' NE2' HE21 ' C' ' 55' ' ' GLN . 93.9 mm-40 -61.61 -39.59 91.79 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.316 179.295 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . 0.493 ' O ' HG23 ' C' ' 83' ' ' THR . 41.7 tp -58.38 -46.58 86.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.47 -179.209 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.82 -48.23 66.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.74 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.49 -44.99 96.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.808 -179.145 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.7 -42.94 99.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.334 -179.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 83' ' ' THR . . . . . 0.493 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.4 p -64.61 -46.31 83.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.114 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.24 -49.63 74.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.573 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.2 -47.79 80.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.701 0.286 . . . . 0.0 110.468 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.18 -44.68 96.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.411 . . . . 0.0 110.166 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.63 -48.83 78.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.0 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 67.2 ttt-85 -58.61 -45.1 89.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.261 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.61 -44.54 96.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.193 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.22 -42.82 96.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.139 0.495 . . . . 0.0 109.992 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 91' ' ' ILE . . . . . 0.616 HD12 ' HB1' ' C' ' 22' ' ' ALA . 75.8 mt -60.12 -41.87 88.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.419 179.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 92' ' ' THR . . . . . 0.54 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 17.3 m -57.43 -45.37 84.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.037 0.446 . . . . 0.0 109.957 179.43 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.6 -43.71 96.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.499 179.278 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 85.5 mt -59.86 -43.66 94.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.85 -43.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.541 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.54 -39.76 92.23 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.98 -41.4 97.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.877 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 65.2 m80 -59.37 -39.04 82.03 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.186 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -61.3 -39.9 92.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.106 179.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -63.52 -38.83 92.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.16 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.302 179.765 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.521 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 121.867 0.841 . . . . 0.0 108.947 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.78 143.04 36.71 Favored 'General case' 0 C--N 1.287 -2.109 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.34 38.67 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.011 -1.056 . . . . 0.0 109.582 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.21 28.52 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.29 18.99 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.061 -1.025 . . . . 0.0 108.414 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.35 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.73 136.62 37.01 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 122.161 0.982 . . . . 0.0 110.101 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.5 mt -84.9 114.27 24.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 N-CA-C 105.407 -2.072 . . . . 0.0 105.407 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.5 p -106.91 -4.22 19.39 Favored 'General case' 0 C--N 1.265 -3.105 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.819 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.81 85.78 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.637 -1.914 . . . . 0.0 110.645 178.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.43 -47.72 12.68 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 124.808 3.672 . . . . 0.0 114.17 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -102.14 27.61 6.51 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 116.049 -2.26 . . . . 0.0 108.783 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.49 -141.0 47.62 Favored Glycine 0 N--CA 1.496 2.689 0 C-N-CA 117.709 -2.186 . . . . 0.0 109.599 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.4 tp -89.76 64.77 6.59 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.975 -1.309 . . . . 0.0 109.531 -177.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.694 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.7 OUTLIER -53.79 177.94 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.144 -178.063 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.559 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.0 OUTLIER -45.77 -65.95 0.47 Allowed 'General case' 0 N--CA 1.504 2.245 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -176.575 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.559 ' N ' ' OG1' ' D' ' 316' ' ' THR . 5.4 tmm_? -56.47 -49.95 90.52 Favored Pre-proline 0 N--CA 1.492 1.658 0 C-N-CA 120.163 -0.615 . . . . 0.0 112.522 -177.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.1 -32.19 64.22 Favored 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 120.577 0.851 . . . . 0.0 111.497 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.476 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.84 86.85 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 119.468 -0.893 . . . . 0.0 109.529 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.447 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -71.0 -39.65 72.3 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.94 -39.44 94.16 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.004 -1.478 . . . . 0.0 109.478 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.67 -45.3 93.43 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-O 122.638 1.208 . . . . 0.0 108.722 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.607 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 53.2 t -62.62 -42.27 95.34 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.216 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.676 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.9 -40.27 96.1 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.234 -0.916 . . . . 0.0 109.708 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.81 -39.64 79.95 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.436 -0.79 . . . . 0.0 109.59 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.06 91.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.573 -1.329 . . . . 0.0 109.454 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . 0.607 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.0 mttp -61.24 -16.18 42.55 Favored 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.91 -10.61 86.09 Favored Glycine 0 N--CA 1.48 1.585 0 O-C-N 119.941 -1.725 . . . . 0.0 109.252 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.412 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.3 32.87 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.229 -1.747 . . . . 0.0 109.978 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.52 -30.11 59.69 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.236 -0.915 . . . . 0.0 112.381 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.78 158.56 10.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 119.833 -1.792 . . . . 0.0 112.837 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.25 35.4 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 102.774 -3.047 . . . . 0.0 102.774 171.289 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.78 136.59 60.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-O 122.271 1.034 . . . . 0.0 109.302 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.8 m -124.94 143.18 51.01 Favored 'General case' 0 C--N 1.286 -2.173 0 CA-C-O 123.108 1.432 . . . . 0.0 109.997 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.4 t -108.02 129.94 61.36 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.719 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.5 m -127.45 119.54 26.34 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.85 -1.157 . . . . 0.0 108.917 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.53 122.62 39.32 Favored 'General case' 0 N--CA 1.5 2.074 0 C-N-CA 119.974 -0.69 . . . . 0.0 109.881 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.75 38.92 24.27 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.865 -1.147 . . . . 0.0 112.797 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.72 10.93 83.59 Favored Glycine 0 N--CA 1.502 3.038 0 O-C-N 119.896 -1.752 . . . . 0.0 112.585 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.84 136.28 54.54 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 69.1 m -124.81 158.59 33.01 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.767 1.746 . . . . 0.0 112.393 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.39 31.35 Favored 'General case' 0 C--N 1.278 -2.533 0 CA-C-N 112.492 -2.14 . . . . 0.0 108.598 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.67 135.96 48.71 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 105.609 -1.997 . . . . 0.0 105.609 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.98 -6.7 47.13 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.685 -1.259 . . . . 0.0 110.716 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.59 13.03 31.51 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.639 -1.288 . . . . 0.0 109.383 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.6 t -133.1 104.14 6.37 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 122.159 0.98 . . . . 0.0 110.14 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 54.6 tp -57.27 -37.9 73.07 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.95 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -58.82 -51.43 70.02 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.594 -1.316 . . . . 0.0 113.079 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.45 70.61 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 119.582 -1.949 . . . . 0.0 109.172 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.8 -33.74 75.83 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.932 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.511 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 67.2 tp60 -67.66 -10.42 52.09 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.594 -0.691 . . . . 0.0 109.979 -177.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 41.7 p -89.79 -7.73 53.74 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 118.157 -1.417 . . . . 0.0 110.937 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.9 mt -93.37 159.27 15.33 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.222 -0.924 . . . . 0.0 110.233 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.81 2.96 Favored Glycine 0 N--CA 1.485 1.933 0 N-CA-C 106.965 -2.454 . . . . 0.0 106.965 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 90.5 mt -119.55 47.32 1.73 Allowed 'General case' 0 C--N 1.308 -1.209 0 O-C-N 120.661 -1.494 . . . . 0.0 107.402 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.57 ' CG2' HG21 ' C' ' 56' ' ' THR . 62.0 p -81.43 172.54 13.41 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.184 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.68 140.95 57.29 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.829 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.19 78.99 Favored Glycine 0 N--CA 1.502 3.039 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.329 177.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.5 135.96 34.02 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.904 -1.351 . . . . 0.0 110.641 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.5 123.64 48.87 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 176.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.14 160.11 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.287 0 C-N-CA 117.365 -1.734 . . . . 0.0 110.716 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.87 128.39 54.87 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.544 -1.347 . . . . 0.0 107.568 175.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.86 121.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.26 50.72 Favored 'General case' 0 C--N 1.286 -2.185 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 -179.589 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.42 47.17 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 118.531 -1.268 . . . . 0.0 109.717 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.521 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.76 6.41 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.012 178.2 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.34 40.17 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 118.0 -2.048 . . . . 0.0 110.356 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.32 -40.66 82.66 Favored 'General case' 0 C--N 1.275 -2.658 0 CA-C-N 114.41 -0.895 . . . . 0.0 112.232 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -113.99 36.79 3.53 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 118.966 -2.334 . . . . 0.0 108.566 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.4 -33.56 65.89 Favored 'General case' 0 N--CA 1.522 3.126 0 N-CA-C 116.839 2.163 . . . . 0.0 116.839 -174.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.437 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.7 27.38 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 119.606 -1.934 . . . . 0.0 110.982 -176.573 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.854 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.46 -40.69 97.8 Favored 'General case' 0 C--N 1.284 -2.245 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.51 77.58 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 117.466 -1.693 . . . . 0.0 110.062 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.8 -42.24 88.97 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 CA-C-O 122.2 1.0 . . . . 0.0 109.264 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.91 -47.87 76.68 Favored 'General case' 0 C--N 1.287 -2.117 0 CA-C-O 122.029 0.919 . . . . 0.0 108.725 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.854 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.82 -38.3 76.51 Favored 'General case' 0 C--N 1.29 -1.983 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.675 -178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.439 HD22 ' CE1' ' D' ' 322' ' ' PHE . 79.9 mt -75.69 -28.55 58.69 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.276 -1.515 . . . . 0.0 110.86 -174.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.55 -39.49 70.32 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.378 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.14 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.22 -45.17 84.1 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 118.973 -1.091 . . . . 0.0 110.596 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.39 -37.37 85.51 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.92 -1.113 . . . . 0.0 111.517 -177.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.71 61.57 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.087 -1.008 . . . . 0.0 110.291 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.98 -32.25 45.18 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.456 -0.777 . . . . 0.0 111.336 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.08 125.48 12.31 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-O 124.275 1.988 . . . . 0.0 112.886 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.819 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 96.6 mt-10 . . . . . 0 C--N 1.277 -2.579 0 CA-C-N 111.165 -2.743 . . . . 0.0 110.121 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -55.0 -177.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.572 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 6' ' ' GLU . 48.1 tp10 -58.43 -81.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.484 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 8' ' ' VAL . 53.1 mt -38.02 -36.62 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.434 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -64.65 -46.68 81.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.851 0.358 . . . . 0.0 110.276 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' GLU . 80.3 tt0 -67.78 -35.1 78.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.241 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.71 -42.24 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.284 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 4' ' ' LEU . 72.2 t -60.21 -44.46 95.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.907 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -58.47 -41.2 84.69 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.11 -41.77 98.33 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.348 -1.101 . . . . 0.0 110.348 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.452 HD13 ' OE1' ' A' ' 55' ' ' GLN . 30.3 mt -62.92 -42.57 99.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.185 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.3 -44.4 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.722 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.447 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.4 mt -63.11 -44.06 99.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.957 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.3 -45.82 92.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.802 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -60.43 -44.81 95.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.027 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.49 -41.95 99.11 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -63.7 -43.7 95.82 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.31 -48.72 79.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.882 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.73 -46.35 90.76 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.0 t -54.46 -44.93 72.97 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.23 -43.01 99.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.741 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.582 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.46 -49.78 76.48 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -59.14 -43.37 92.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.553 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.72 88.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.815 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.45 -43.08 88.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.693 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.41 -46.2 91.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.468 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.81 -43.03 72.57 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.45 HE21 ' HB1' ' A' ' 36' ' ' ALA . 15.5 mm100 -60.14 -41.4 92.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.794 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.34 -43.08 92.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.657 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.81 -29.7 69.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.119 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.48 -4.43 57.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.377 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.38 17.73 65.94 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -99.79 78.43 2.13 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.744 0.307 . . . . 0.0 110.241 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.38 -34.23 77.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.71 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.99 -48.9 76.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.078 0.466 . . . . 0.0 110.782 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.45 ' HB1' HE21 ' A' ' 28' ' ' GLN . . . -64.5 -35.11 79.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.357 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.24 84.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.638 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -61.6 -42.2 98.52 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.69 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.96 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.8 mtt -65.56 -41.93 92.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.457 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.484 ' SD ' HD12 ' A' ' 95' ' ' ILE . 72.5 mtm -63.63 -41.66 98.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.613 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.84 -45.56 93.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.554 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -62.57 -39.59 94.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.205 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.7 t -61.4 -46.21 91.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.55 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 72.0 ttt180 -60.15 -42.51 95.04 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.306 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.38 -44.54 95.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.196 0.522 . . . . 0.0 110.582 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.52 98.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.206 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.406 HD21 ' CB ' ' A' ' 18' ' ' ALA . 94.1 mt -64.97 -40.15 94.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.665 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.35 -41.84 97.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.278 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -65.54 -40.05 92.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.182 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.55 -45.35 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.439 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -60.25 -39.57 87.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.395 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.3 mt -60.33 -45.16 94.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.328 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.82 -43.53 96.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.012 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.504 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 67.7 tp60 -59.12 -44.37 92.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.278 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.8 m -55.71 -43.59 76.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.047 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.38 -41.78 97.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.923 0.392 . . . . 0.0 110.572 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.0 mt -65.99 -38.21 87.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.642 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.85 -39.18 81.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.855 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -73.4 -31.53 63.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.47 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.73 155.33 0.38 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -93.37 -21.41 19.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.551 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.46 140.51 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.66 -74.59 1.26 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 65' ' ' GLU . 12.1 pt-20 -66.26 126.18 27.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.686 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.86 20.76 72.9 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -55.83 130.08 42.05 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.692 0.282 . . . . 0.0 110.469 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.8 mtp -84.44 140.8 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.578 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -88.71 -73.98 0.48 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.916 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -110.03 132.25 58.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.706 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.512 ' O ' HG23 ' A' ' 75' ' ' VAL . 10.7 p -131.4 163.83 27.03 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.7 mt -57.76 -43.17 85.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.614 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.607 HG13 HG21 ' A' ' 8' ' ' VAL . 75.6 t -64.17 -46.62 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.874 0.369 . . . . 0.0 110.61 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.7 mt -63.46 -41.17 98.63 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.044 0.45 . . . . 0.0 110.881 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 71' ' ' SER . 53.1 t -59.49 -47.0 92.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.216 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.93 -46.28 88.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.836 0.35 . . . . 0.0 110.314 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.504 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.58 -42.7 95.44 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.628 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.49 -40.94 98.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.136 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 83' ' ' THR . 47.5 tp -57.65 -45.81 85.02 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.336 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -67.37 -46.58 72.9 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.747 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.56 -45.51 93.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.849 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.1 mmm -62.32 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.164 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.1 p -64.24 -46.66 82.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.091 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 79.7 p -61.91 -49.67 75.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.473 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.5 tpp -57.74 -47.85 81.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.499 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.31 -44.63 96.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.927 0.394 . . . . 0.0 110.107 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.98 79.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.86 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.41 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 65.1 ttt-85 -58.46 -45.2 89.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.148 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -60.53 -44.86 95.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.071 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.2 mt -64.24 -42.47 96.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.114 0.483 . . . . 0.0 109.901 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.582 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.4 mt -60.36 -42.1 89.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.294 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.92 -45.39 86.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.016 0.436 . . . . 0.0 109.895 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.1 -43.52 98.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.621 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.578 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 85.0 mt -60.05 -43.55 95.3 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.484 HD12 ' SD ' ' A' ' 41' ' ' MET . 88.6 mt -61.37 -43.11 96.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -62.32 -38.94 91.37 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 97' ' ' LEU . 36.3 mt -62.07 -41.36 98.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.904 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.578 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 68.2 m80 -60.34 -38.85 85.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -60.53 -39.28 87.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.208 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -64.07 -37.36 87.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.219 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.0 mt -69.69 135.18 49.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.396 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 56.41 14.38 1.6 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.496 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.892 -1.052 . . . . 0.0 110.605 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -55.04 -177.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' B' ' 6' ' ' GLU . 47.7 tp10 -57.96 -81.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.99 0.424 . . . . 0.0 110.417 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.601 ' O ' HG23 ' B' ' 8' ' ' VAL . 53.5 mt -38.12 -36.63 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.483 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.54 -46.86 81.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.944 0.402 . . . . 0.0 110.288 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 3' ' ' GLU . 80.5 tt0 -67.29 -35.76 80.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.25 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.2 -42.29 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.305 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 4' ' ' LEU . 73.7 t -60.35 -44.21 95.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.846 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -58.83 -40.86 85.42 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.61 98.04 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.117 -1.193 . . . . 0.0 110.117 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.443 HD13 ' OE1' ' B' ' 55' ' ' GLN . 31.8 mt -63.0 -42.71 99.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.704 0.288 . . . . 0.0 110.309 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.32 -44.3 99.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.703 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.3 mt -63.14 -44.13 99.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.938 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.23 -45.99 92.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.844 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -60.36 -44.83 95.2 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.104 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -42.09 99.46 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.136 -1.185 . . . . 0.0 110.136 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -63.53 -43.77 96.16 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.01 -49.34 77.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.839 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.37 -46.08 91.23 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 t -54.73 -44.9 73.94 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.28 -42.77 99.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.747 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.595 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.84 -49.63 76.95 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.07 -43.4 91.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.692 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.04 -42.13 89.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.723 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.25 -42.81 87.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.671 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.79 -46.36 89.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.297 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.81 -43.05 72.59 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.472 HE21 ' HB1' ' B' ' 36' ' ' ALA . 15.5 mm100 -60.01 -41.47 92.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.899 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.13 91.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.705 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.86 -29.82 69.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.053 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -82.48 -4.57 57.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.392 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.78 17.31 65.99 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.38 78.6 2.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.845 0.355 . . . . 0.0 110.307 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -64.63 -34.16 77.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.586 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.14 76.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.1 0.476 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.472 ' HB1' HE21 ' B' ' 28' ' ' GLN . . . -64.44 -35.1 79.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.349 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.32 -47.22 85.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.523 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.77 -42.56 99.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.54 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.58 98.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.664 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -65.36 -41.81 93.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.507 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.0 mtm -63.85 -41.57 97.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.564 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -61.92 -45.23 94.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.426 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.94 -39.66 95.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.278 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -61.23 -46.27 91.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.528 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.404 ' HB2' ' NH2' ' B' ' 88' ' ' ARG . 71.1 ttt180 -60.22 -42.39 95.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.26 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.44 -44.79 95.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.316 0.579 . . . . 0.0 110.623 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.93 98.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.106 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' B' ' 18' ' ' ALA . 93.4 mt -65.36 -40.33 93.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.75 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.26 -41.95 97.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.334 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -65.41 -40.3 93.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.114 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.54 76.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.478 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.36 -39.39 87.01 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.262 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.28 -45.01 94.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.312 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.45 -42.81 94.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.04 0.448 . . . . 0.0 110.095 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.518 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 68.0 tp60 -59.54 -44.22 93.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.326 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -55.67 -44.07 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.953 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.99 -42.08 97.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.868 0.366 . . . . 0.0 110.529 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.71 -38.37 89.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.672 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.72 -39.17 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.73 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -73.55 -31.38 63.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.497 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.55 156.0 0.41 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -93.8 -21.44 19.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.859 0.361 . . . . 0.0 110.586 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.59 140.57 44.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.421 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.63 -74.68 1.27 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.01 126.41 28.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 110.568 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.71 20.78 73.31 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -55.79 130.71 44.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.604 0.24 . . . . 0.0 110.512 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mtp -85.02 141.36 30.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.692 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -89.45 -73.65 0.5 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.807 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p -111.16 131.41 62.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.794 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.539 ' O ' HG23 ' B' ' 75' ' ' VAL . 19.9 p -130.51 165.24 23.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.559 -178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 37.9 mt -59.6 -43.58 93.68 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.528 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.583 HG13 HG21 ' B' ' 8' ' ' VAL . 71.7 t -62.8 -46.18 96.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.591 -178.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.75 -40.67 97.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 71' ' ' SER . 53.2 t -59.61 -46.99 92.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.28 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -59.52 -46.05 89.97 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.346 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.518 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -64.38 -42.7 96.0 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.814 0.34 . . . . 0.0 110.378 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -63.45 -41.03 98.64 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.265 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.483 ' O ' HG23 ' B' ' 83' ' ' THR . 46.7 tp -57.77 -45.41 86.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.403 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -67.58 -46.5 72.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.703 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.88 -45.66 92.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.86 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.96 -43.06 99.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.263 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.483 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.8 p -64.33 -46.59 82.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.224 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 80.5 p -62.01 -49.57 75.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.661 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 8.7 tpp -57.74 -47.81 81.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.466 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.53 -44.39 96.46 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.091 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.66 -49.13 78.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.837 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.404 ' NH2' ' HB2' ' B' ' 45' ' ' ARG . 65.0 ttt-85 -58.3 -45.32 88.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.273 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.54 -44.84 95.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.15 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.26 -42.24 96.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.025 0.44 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.595 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.5 mt -60.45 -42.27 90.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.233 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.58 -45.81 84.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.134 0.493 . . . . 0.0 109.876 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.97 -43.47 98.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.439 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 84.4 mt -59.84 -43.69 94.47 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.507 HD12 ' SD ' ' B' ' 41' ' ' MET . 89.8 mt -61.36 -43.0 95.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.511 179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -62.29 -38.81 90.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.787 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.8 mt -62.5 -41.12 98.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.801 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.9 m80 -60.27 -38.56 83.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.84 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -60.87 -39.78 90.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.107 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -63.75 -37.42 87.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.198 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 84.8 mt -69.24 135.18 50.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.343 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 68.7 mttm 56.24 14.49 1.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.942 -1.027 . . . . 0.0 110.54 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -55.7 -177.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.528 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' C' ' 6' ' ' GLU . 48.1 tp10 -57.99 -81.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.618 ' O ' HG23 ' C' ' 8' ' ' VAL . 53.0 mt -38.2 -36.51 0.22 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.415 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.69 -47.02 79.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.319 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' C' ' 3' ' ' GLU . 80.1 tt0 -67.28 -35.11 78.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.297 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.71 -42.33 94.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.337 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.618 HG23 ' O ' ' C' ' 4' ' ' LEU . 69.7 t -60.19 -44.75 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.003 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -58.17 -41.14 83.19 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.13 -41.96 98.23 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.207 -1.157 . . . . 0.0 110.207 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.456 HD13 ' OE1' ' C' ' 55' ' ' GLN . 32.0 mt -62.56 -42.94 99.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.93 0.395 . . . . 0.0 110.347 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.01 -44.29 99.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.733 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.1 -44.07 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.071 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.41 -45.94 92.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.768 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -60.1 -44.77 94.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.113 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.44 -42.42 99.04 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -63.27 -43.97 96.43 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.79 -49.37 76.86 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.23 -46.3 90.26 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.0 t -54.66 -45.02 73.78 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.17 -42.63 99.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.723 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.595 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.82 -49.88 75.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -59.02 -43.61 91.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.515 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.78 88.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.718 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.95 89.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.622 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.28 -46.68 89.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.394 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.69 -43.07 72.16 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.462 HE21 ' HB1' ' C' ' 36' ' ' ALA . 15.4 mm100 -60.13 -41.11 91.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.849 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.68 92.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.813 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.37 -29.88 70.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.046 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -82.23 -4.07 56.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.468 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.18 17.42 67.03 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -99.45 78.94 2.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.741 0.305 . . . . 0.0 110.257 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -64.85 -34.16 77.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.538 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.93 -49.06 76.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.035 0.445 . . . . 0.0 110.706 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . 0.462 ' HB1' HE21 ' C' ' 28' ' ' GLN . . . -64.51 -34.84 79.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.417 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.15 84.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.471 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -61.76 -42.34 98.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.623 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.52 98.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.767 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 61.3 mtt -65.41 -41.77 93.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.566 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.506 ' SD ' HD12 ' C' ' 95' ' ' ILE . 72.6 mtm -63.94 -41.46 97.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.608 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -62.09 -45.72 92.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.362 . . . . 0.0 110.407 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.34 -39.55 93.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.342 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 42.7 t -61.42 -46.25 90.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.499 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.401 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 72.1 ttt180 -60.27 -42.18 94.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.3 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -60.67 -44.78 96.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.316 0.579 . . . . 0.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.19 98.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.342 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' C' ' 48' ' ' LEU . 92.7 mt -65.3 -40.13 93.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.723 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -61.74 -41.74 98.05 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.337 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -65.48 -39.91 92.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.978 0.418 . . . . 0.0 110.008 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.72 -45.3 75.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.45 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.56 -38.9 86.05 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.392 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.94 -44.67 96.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.287 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.35 -43.22 94.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.015 0.436 . . . . 0.0 110.0 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.515 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 67.6 tp60 -59.21 -44.91 92.25 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.292 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.57 HG21 ' CG2' ' D' ' 356' ' ' THR . 18.7 m -54.91 -44.02 73.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.144 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.28 -41.76 97.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.498 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.87 -38.46 88.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.795 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.64 -38.94 81.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.831 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.511 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 -73.8 -31.43 63.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.433 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.67 156.08 0.44 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -93.87 -21.58 19.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.848 0.356 . . . . 0.0 110.56 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.25 140.52 45.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.532 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.66 -74.68 1.27 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -66.12 126.18 27.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.866 0.365 . . . . 0.0 110.613 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.12 20.51 72.63 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -55.57 130.88 44.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.633 0.254 . . . . 0.0 110.6 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 99.1 mtp -85.28 141.28 30.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.661 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -89.23 -73.78 0.5 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.95 131.1 63.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.711 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.55 ' O ' HG23 ' C' ' 75' ' ' VAL . 20.8 p -129.42 168.21 16.65 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.45 -178.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' C' ' 72' ' ' LEU . 19.8 mt -62.05 -42.39 99.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.708 -177.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.571 HG13 HG21 ' C' ' 8' ' ' VAL . 69.1 t -64.33 -46.47 93.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 130.135 3.374 . . . . 0.0 110.626 -178.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.7 mt -65.85 -40.14 91.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.955 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.55 HG23 ' O ' ' C' ' 71' ' ' SER . 53.1 t -60.17 -47.57 91.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.226 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.26 -46.18 89.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.313 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.515 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -64.42 -42.63 95.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.922 0.391 . . . . 0.0 110.419 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -63.71 -41.03 98.16 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.211 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.469 ' O ' HG23 ' C' ' 83' ' ' THR . 45.6 tp -57.49 -45.59 84.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.465 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -67.77 -46.39 72.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.709 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.87 -45.53 93.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.814 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -62.0 -43.2 99.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.384 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.469 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.5 p -64.28 -46.84 81.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.165 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -61.72 -49.76 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.607 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.5 tpp -57.53 -47.97 80.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.737 0.304 . . . . 0.0 110.464 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.41 -44.38 96.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.669 -0.413 . . . . 0.0 110.163 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.42 -49.16 78.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.926 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.401 ' NH2' ' HB2' ' C' ' 45' ' ' ARG . 64.4 ttt-85 -58.53 -45.28 89.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.21 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.37 -44.92 95.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.877 0.37 . . . . 0.0 110.126 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 80.1 mt -64.18 -42.47 96.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.21 0.529 . . . . 0.0 110.074 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.595 HD12 ' HB1' ' C' ' 22' ' ' ALA . 78.8 mt -60.41 -42.32 90.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.394 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.1 m -57.47 -45.7 84.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.067 0.46 . . . . 0.0 110.008 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.07 -43.54 98.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.487 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.565 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 84.7 mt -59.66 -43.54 93.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.347 0.594 . . . . 0.0 109.515 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . 0.506 HD12 ' SD ' ' C' ' 41' ' ' MET . 89.1 mt -61.37 -42.92 95.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.598 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -62.36 -38.92 91.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.724 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.7 mt -62.36 -41.35 98.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.846 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 68.1 m80 -60.07 -38.65 83.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.755 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.02 -39.26 89.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.128 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -64.17 -37.1 86.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.254 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.63 134.76 49.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.295 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 68.8 mttm 56.72 14.28 1.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.526 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.329 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.497 179.872 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.524 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 121.89 0.852 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.82 143.07 36.65 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.33 38.58 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.035 -1.041 . . . . 0.0 109.569 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.2 149.14 28.42 Favored 'General case' 0 C--N 1.292 -1.904 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.14 152.32 18.92 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.057 -1.027 . . . . 0.0 108.401 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.85 144.32 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.742 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 177.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.7 136.65 36.94 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 122.181 0.991 . . . . 0.0 110.16 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.4 mt -84.99 114.37 25.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.1 p -106.9 -4.35 19.25 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.814 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.86 85.86 Favored Pre-proline 0 N--CA 1.5 2.066 0 O-C-N 119.716 -1.865 . . . . 0.0 110.57 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -45.47 -47.76 12.72 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 124.75 3.633 . . . . 0.0 114.155 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -102.13 27.61 6.5 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 116.009 -2.276 . . . . 0.0 108.799 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.8 -141.92 48.21 Favored Glycine 0 N--CA 1.496 2.693 0 C-N-CA 117.698 -2.191 . . . . 0.0 109.604 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.7 tp -90.07 70.82 7.38 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.883 -1.363 . . . . 0.0 109.475 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.701 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.1 p80 -62.03 176.47 0.56 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 117.906 -1.518 . . . . 0.0 112.094 -178.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.1 p -42.7 -65.05 0.52 Allowed 'General case' 0 N--CA 1.505 2.283 0 N-CA-C 117.278 2.325 . . . . 0.0 117.278 -176.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.536 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.1 tmt_? -56.46 -51.58 80.0 Favored Pre-proline 0 N--CA 1.493 1.691 0 C-N-CA 120.181 -0.608 . . . . 0.0 112.446 -177.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.48 -32.2 60.04 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 C-N-CA 120.693 0.929 . . . . 0.0 111.513 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.522 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.97 -38.8 86.73 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.221 -0.924 . . . . 0.0 109.54 -179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.487 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.97 -39.69 72.36 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -63.89 -39.43 94.16 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 118.015 -1.474 . . . . 0.0 109.51 177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.68 -45.31 93.37 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 122.606 1.193 . . . . 0.0 108.681 -177.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.522 HG23 ' O ' ' D' ' 319' ' ' ALA . 70.1 t -62.72 -42.29 95.58 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.234 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.6 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.77 -40.33 96.43 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.239 -0.913 . . . . 0.0 109.789 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.539 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.72 80.12 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.317 -0.864 . . . . 0.0 109.62 177.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.0 91.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.561 -1.337 . . . . 0.0 109.456 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.33 -16.19 43.53 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 121.282 -0.887 . . . . 0.0 113.339 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.95 -10.59 86.13 Favored Glycine 0 N--CA 1.479 1.525 0 O-C-N 119.873 -1.767 . . . . 0.0 109.271 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.46 143.37 32.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.227 -1.749 . . . . 0.0 110.009 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.7 p -75.66 -29.99 59.28 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.243 -0.911 . . . . 0.0 112.335 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.84 158.63 10.22 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.841 -1.787 . . . . 0.0 112.777 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.586 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.04 130.28 35.35 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 102.79 -3.041 . . . . 0.0 102.79 171.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.76 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.413 0 CA-C-O 122.222 1.01 . . . . 0.0 109.307 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.88 143.25 50.94 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 123.06 1.41 . . . . 0.0 109.952 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.7 t -108.2 129.9 61.69 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.721 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 173.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.6 m -127.41 119.52 26.35 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.846 -1.159 . . . . 0.0 108.948 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.0 t -122.54 122.62 39.33 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.578 -0.701 . . . . 0.0 109.93 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.77 38.95 24.46 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.94 -1.1 . . . . 0.0 112.719 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.67 11.0 83.56 Favored Glycine 0 N--CA 1.502 3.093 0 O-C-N 119.913 -1.742 . . . . 0.0 112.521 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -119.86 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 67.9 m -124.8 158.53 33.14 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-O 123.833 1.777 . . . . 0.0 112.449 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.64 151.42 31.47 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 112.438 -2.164 . . . . 0.0 108.55 177.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.68 136.05 48.77 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 173.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.435 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.03 -6.81 48.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.715 -1.24 . . . . 0.0 110.68 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -97.4 12.88 31.65 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.633 -1.292 . . . . 0.0 109.418 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.4 t -133.06 104.2 6.41 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.202 1.001 . . . . 0.0 110.092 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.9 tp -57.27 -37.87 73.02 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.968 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.93 -51.33 70.5 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.614 -1.304 . . . . 0.0 113.064 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.06 -32.43 70.54 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 119.65 -1.906 . . . . 0.0 109.217 -178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.83 -33.73 75.85 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 118.943 -1.103 . . . . 0.0 109.941 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.5 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 67.7 tp60 -67.65 -10.39 51.78 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.678 -0.639 . . . . 0.0 109.988 -177.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . 0.475 ' C ' ' OE1' ' C' ' 60' ' ' GLU . 32.8 p -89.76 -7.75 53.75 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 118.141 -1.423 . . . . 0.0 110.95 -178.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.36 159.29 15.32 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.213 -0.93 . . . . 0.0 110.175 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.89 2.97 Favored Glycine 0 N--CA 1.485 1.919 0 N-CA-C 106.937 -2.465 . . . . 0.0 106.937 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.61 47.3 1.74 Allowed 'General case' 0 C--N 1.308 -1.203 0 O-C-N 120.761 -1.435 . . . . 0.0 107.378 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.67 ' CG2' HG21 ' C' ' 56' ' ' THR . 64.7 p -81.38 172.59 13.37 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 118.742 -1.183 . . . . 0.0 109.227 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.75 140.9 57.4 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.872 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.13 78.96 Favored Glycine 0 N--CA 1.502 3.035 0 C-N-CA 120.029 -1.081 . . . . 0.0 111.317 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.39 135.93 34.08 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 120.904 -1.351 . . . . 0.0 110.651 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.54 123.68 48.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.485 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.13 160.05 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.314 0 C-N-CA 117.411 -1.716 . . . . 0.0 110.63 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.0 m -108.86 128.38 54.85 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.482 -1.386 . . . . 0.0 107.643 175.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.9 121.4 60.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.56 147.21 50.69 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 -179.509 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.7 153.49 47.26 Favored 'General case' 0 C--N 1.292 -1.924 0 C-N-CA 118.496 -1.282 . . . . 0.0 109.762 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.524 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.26 110.78 6.4 Favored 'General case' 0 C--N 1.288 -2.075 0 C-N-CA 118.522 -1.271 . . . . 0.0 107.989 178.211 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.28 40.15 Favored Glycine 0 C--N 1.297 -1.62 0 C-N-CA 117.948 -2.072 . . . . 0.0 110.331 178.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.69 82.92 Favored 'General case' 0 C--N 1.276 -2.618 0 CA-C-N 114.399 -0.9 . . . . 0.0 112.21 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.96 36.75 3.54 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 115.884 -2.326 . . . . 0.0 108.576 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.32 -33.56 65.72 Favored 'General case' 0 N--CA 1.52 3.067 0 N-CA-C 116.885 2.18 . . . . 0.0 116.885 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.461 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.61 27.31 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 119.604 -1.935 . . . . 0.0 110.967 -176.56 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.782 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.71 97.76 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 178.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.25 -49.41 77.95 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 117.415 -1.714 . . . . 0.0 110.043 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.8 t -66.82 -42.23 88.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 CA-C-O 122.273 1.035 . . . . 0.0 109.345 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.89 -47.89 76.61 Favored 'General case' 0 C--N 1.287 -2.139 0 CA-C-O 122.005 0.907 . . . . 0.0 108.749 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.782 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.8 m-70 -69.68 -38.43 77.03 Favored 'General case' 0 C--N 1.29 -1.986 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.718 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.436 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.7 mt -75.53 -28.67 59.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.459 -1.401 . . . . 0.0 110.896 -174.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.46 70.98 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.34 62.63 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.539 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.18 -45.33 83.79 Favored 'General case' 0 N--CA 1.493 1.692 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.554 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.485 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.31 -37.32 85.13 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.88 -1.137 . . . . 0.0 111.563 -177.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.85 61.65 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.025 -1.047 . . . . 0.0 110.246 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.93 -32.27 45.49 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.5 -0.75 . . . . 0.0 111.341 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.13 125.46 12.34 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.305 2.002 . . . . 0.0 112.864 178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.814 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 33.8 tp10 . . . . . 0 C--N 1.277 -2.553 0 CA-C-N 111.074 -2.784 . . . . 0.0 110.164 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.0 144.93 56.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.547 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.7 mt-10 -61.56 -40.16 93.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.461 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 8' ' ' VAL . 93.8 mt -37.98 -34.26 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.451 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.11 -46.45 80.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.913 0.387 . . . . 0.0 110.248 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' GLU . 84.6 tt0 -68.48 -35.74 77.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.291 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 58' ' ' LEU . 79.8 t -64.02 -42.52 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.414 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 4' ' ' LEU . 99.2 t -60.57 -44.33 96.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.938 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.5 -41.15 89.22 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.25 -42.16 96.41 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.02 -42.5 99.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.223 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.02 -43.79 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.708 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.487 HD11 ' HB1' ' D' ' 320' ' ' ALA . 85.4 mt -63.14 -44.24 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.99 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.538 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 51.2 t-20 -60.57 -46.4 90.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.799 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.0 t -60.8 -44.29 97.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.985 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.22 99.05 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.53 -42.92 98.4 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.46 -49.04 77.55 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -61.0 -46.28 91.39 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.9 m -54.73 -44.47 73.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.96 -42.23 99.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.73 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.64 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -58.9 -49.83 76.32 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.56 -42.07 91.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.621 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.29 94.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.799 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -42.89 83.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.663 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.18 -45.34 95.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.496 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -56.65 -41.72 77.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.0 -43.82 98.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.838 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -40.81 93.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.718 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -60.43 -30.8 69.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.145 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -79.99 -1.74 40.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.431 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.14 14.24 75.15 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.79 80.36 3.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.764 0.316 . . . . 0.0 110.252 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -64.84 -35.03 79.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.651 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.16 -48.66 79.1 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.994 0.426 . . . . 0.0 110.757 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.15 -35.32 80.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.354 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.84 81.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.558 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -61.44 -42.76 99.25 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.599 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.93 -41.63 97.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.794 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.01 -42.02 94.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.454 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.555 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.2 mtm -64.33 -39.92 94.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.573 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -61.9 -45.25 94.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.932 0.396 . . . . 0.0 110.475 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -62.38 -39.45 93.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.18 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.435 ' HB2' ' HE ' ' A' ' 88' ' ' ARG . 68.4 m -61.39 -45.16 95.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.533 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.32 -42.06 94.83 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.327 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.62 -43.77 97.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.191 0.52 . . . . 0.0 110.532 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.16 97.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.282 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 48' ' ' LEU . 93.7 mt -65.05 -40.47 94.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.661 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -61.3 -41.76 97.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.307 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -65.03 -40.72 95.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.206 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.538 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.12 -44.8 78.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.45 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.81 -39.5 89.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.38 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.6 mt -61.03 -44.49 97.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.354 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.43 -43.68 94.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.051 0.453 . . . . 0.0 110.015 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.532 HE22 ' CB ' ' A' ' 77' ' ' ALA . 5.4 tp-100 -59.77 -43.69 94.22 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.282 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -55.42 -44.14 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.076 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.43 -41.18 93.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.499 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.506 HD11 HG11 ' A' ' 7' ' ' VAL . 97.4 mt -67.18 -39.35 86.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.667 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -66.43 -40.03 85.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -69.75 -30.8 68.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.528 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.34 -14.74 65.65 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -98.3 -23.13 15.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 0.0 110.55 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.88 108.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.562 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.19 138.53 16.04 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -88.11 114.17 24.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 110.655 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.68 -5.88 43.38 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -105.41 -165.55 1.13 Allowed 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.779 0.323 . . . . 0.0 110.41 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.4 mtm -62.75 140.05 58.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.59 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.468 ' HG2' HG13 ' A' ' 70' ' ' VAL . 61.6 tttp -39.16 -91.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.934 0.397 . . . . 0.0 110.938 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.468 HG13 ' HG2' ' A' ' 69' ' ' LYS . 32.7 m -94.21 -143.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.725 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 75' ' ' VAL . 90.8 p -135.35 170.55 15.76 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.538 HD22 ' SD ' ' C' ' 68' ' ' MET . 7.9 tt -58.12 -43.38 87.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.597 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG1' HG21 ' A' ' 8' ' ' VAL . 48.2 t -61.93 -46.3 96.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.866 0.365 . . . . 0.0 110.609 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.512 ' CD2' ' OE1' ' A' ' 55' ' ' GLN . 30.3 mt -61.58 -38.8 88.86 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 71' ' ' SER . 63.2 t -59.29 -47.37 90.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.186 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -59.72 -45.53 91.89 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.329 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.532 ' CB ' HE22 ' A' ' 55' ' ' GLN . . . -61.9 -44.17 97.33 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.648 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.7 -37.96 86.1 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.141 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 83' ' ' THR . 37.2 tp -57.73 -47.31 82.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.379 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.427 ' O ' ' OG1' ' A' ' 83' ' ' THR . 74.8 m80 -67.36 -47.39 70.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.34 -45.37 94.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.861 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.4 mmm -61.55 -42.84 99.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.196 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.8 p -63.01 -46.7 86.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.112 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -61.97 -48.69 79.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.49 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.3 ttp -57.75 -48.66 78.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.522 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.13 -43.41 98.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.907 0.384 . . . . 0.0 110.07 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -48.0 83.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.876 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' HE ' ' HB2' ' A' ' 44' ' ' SER . 69.4 ttt-85 -58.01 -46.07 85.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.114 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -60.5 -44.5 95.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.057 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.75 -43.13 94.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.211 0.529 . . . . 0.0 109.81 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.64 HD12 ' HB1' ' A' ' 22' ' ' ALA . 75.6 mt -60.82 -42.37 92.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.295 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 77.2 m -58.04 -45.59 86.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.498 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.6 mt-10 -63.33 -42.67 98.99 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.2 mt -59.92 -42.57 94.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.555 HD12 ' SD ' ' A' ' 41' ' ' MET . 89.2 mt -60.85 -43.12 94.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.472 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -61.51 -38.5 87.6 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 97' ' ' LEU . 35.4 mt -62.38 -41.57 98.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.928 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -59.09 -39.99 83.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.761 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.34 -40.09 89.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.155 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.3 -36.14 83.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.25 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 43.9 mt -83.05 -7.05 59.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.372 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 56.91 26.21 11.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.472 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.583 179.759 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.15 145.02 56.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.607 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.6 mt-10 -61.55 -40.27 94.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.485 -179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.75 ' O ' HG23 ' B' ' 8' ' ' VAL . 93.9 mt -38.1 -33.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.491 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.4 mt-10 -65.32 -46.64 79.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.973 0.416 . . . . 0.0 110.369 179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.1 tt0 -67.93 -35.9 79.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.239 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.502 HG11 HD11 ' B' ' 58' ' ' LEU . 79.9 t -64.08 -42.72 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.364 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 4' ' ' LEU . 98.2 t -60.49 -43.96 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.889 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.1 mtp -59.79 -41.07 90.36 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -42.24 96.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.169 -1.173 . . . . 0.0 110.169 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.07 -42.4 99.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.864 0.364 . . . . 0.0 110.388 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.14 -43.83 99.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.701 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.11 -43.92 99.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.935 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.532 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 52.1 t-20 -61.11 -46.1 91.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.887 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.8 t -60.75 -44.45 96.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.104 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.08 -43.44 98.77 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.146 -1.181 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.97 -43.05 99.86 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.61 -49.04 77.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 109.915 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 -60.75 -46.38 90.67 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.6 m -54.63 -44.57 73.29 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.92 -42.28 99.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.66 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.636 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.17 -49.74 76.69 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.54 -41.84 90.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.668 179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.02 95.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.746 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.12 85.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.636 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.1 -45.48 94.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.33 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.56 -41.89 77.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.83 -43.63 98.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.807 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.06 95.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.743 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.16 -30.64 69.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.075 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.03 -1.91 41.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.413 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.29 13.92 75.51 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.53 80.18 3.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.797 0.332 . . . . 0.0 110.34 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -64.74 -34.95 79.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.649 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.99 -49.25 76.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.077 0.465 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.82 -35.14 80.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.415 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.55 -48.17 80.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.524 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -61.08 -43.25 99.16 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.555 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.86 98.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.7 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -64.89 -42.14 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.514 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.555 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.2 mtm -64.1 -40.16 95.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.516 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.73 -45.3 94.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.464 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -62.23 -39.68 93.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.255 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.439 ' HB2' ' HE ' ' B' ' 88' ' ' ARG . 67.3 m -61.2 -45.31 95.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.483 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -60.24 -41.97 94.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.295 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -60.37 -43.99 96.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.293 0.568 . . . . 0.0 110.664 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.83 -42.3 97.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.185 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.01 -40.47 94.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.673 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -61.42 -41.59 97.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.322 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -65.13 -40.87 95.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.079 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.532 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.08 -44.81 79.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.409 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.96 -39.44 89.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.221 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.98 -44.48 97.31 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.391 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.6 -43.63 93.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.035 0.445 . . . . 0.0 110.038 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.515 ' OE1' ' CD2' ' B' ' 74' ' ' LEU . 5.4 tp-100 -59.65 -43.51 93.86 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.213 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -55.83 -44.02 77.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.971 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.56 -40.76 92.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.844 0.354 . . . . 0.0 110.536 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.502 HD11 HG11 ' B' ' 7' ' ' VAL . 97.5 mt -67.63 -38.98 84.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 94.9 mt -66.86 -40.17 85.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.728 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -69.44 -30.58 68.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.577 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.81 -14.35 65.24 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -98.54 -23.63 15.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.82 0.343 . . . . 0.0 110.6 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.63 108.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.419 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.33 138.75 16.14 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -87.97 114.44 24.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.734 0.302 . . . . 0.0 110.658 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.43 -5.38 44.76 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -106.03 -165.45 1.1 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.559 0.218 . . . . 0.0 110.526 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 77.3 mtm -62.78 141.02 58.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.612 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.439 ' HG2' HG13 ' B' ' 70' ' ' VAL . 61.7 tttp -40.35 -90.73 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.837 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.439 HG13 ' HG2' ' B' ' 69' ' ' LYS . 33.1 m -92.52 -143.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.485 ' O ' HG23 ' B' ' 75' ' ' VAL . 99.7 p -135.24 171.23 14.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.546 -178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 72' ' ' LEU . 7.6 tt -59.87 -43.26 94.81 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.583 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.466 ' CG1' HG21 ' B' ' 8' ' ' VAL . 47.6 t -61.25 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.58 -178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.515 ' CD2' ' OE1' ' B' ' 55' ' ' GLN . 32.5 mt -61.58 -38.67 88.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.08 0.467 . . . . 0.0 110.936 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 71' ' ' SER . 61.4 t -59.2 -47.13 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.305 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -60.44 -44.76 95.48 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.257 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.514 ' CB ' HE22 ' B' ' 55' ' ' GLN . . . -62.22 -44.5 96.43 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.915 0.388 . . . . 0.0 110.414 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -61.47 -37.98 85.57 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.231 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 83' ' ' THR . 36.8 tp -57.79 -47.01 83.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.354 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.415 ' O ' ' OG1' ' B' ' 83' ' ' THR . 75.2 m80 -67.58 -47.25 70.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.721 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.52 -45.25 94.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.49 -42.88 99.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.211 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.511 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.1 p -63.31 -45.88 89.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.178 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -62.56 -48.55 78.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 67.0 ttp -58.38 -47.81 82.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.437 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.97 -43.5 98.71 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.13 82.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.907 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.439 ' HE ' ' HB2' ' B' ' 44' ' ' SER . 69.4 ttt-85 -58.04 -45.91 86.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.246 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.62 -44.38 96.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.149 -179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.72 -42.64 95.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.092 0.472 . . . . 0.0 110.01 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.636 HD12 ' HB1' ' B' ' 22' ' ' ALA . 75.3 mt -61.45 -42.53 94.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.175 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 83.3 m -57.82 -45.52 86.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.049 0.452 . . . . 0.0 109.852 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.497 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -63.42 -42.59 98.71 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.498 HD13 ' OE1' ' A' ' 93' ' ' GLU . 76.9 mt -59.95 -42.69 94.62 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.555 HD12 ' SD ' ' B' ' 41' ' ' MET . 88.1 mt -60.8 -43.16 94.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.488 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.37 -38.5 87.22 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.7 mt -62.44 -41.35 98.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.82 179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -59.3 -40.15 85.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.782 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.18 -40.28 89.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.151 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.24 -36.03 82.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.232 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 46.1 mt -82.82 -7.77 59.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.332 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 57.38 26.2 12.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.604 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.547 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.16 145.21 56.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.611 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.5 mt-10 -61.47 -40.31 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.355 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.728 ' O ' HG23 ' C' ' 8' ' ' VAL . 93.8 mt -38.09 -34.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.463 -179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.04 -46.67 80.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 0.0 110.333 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.2 tt0 -68.01 -35.63 78.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.303 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.495 HG11 HD11 ' C' ' 58' ' ' LEU . 78.3 t -64.24 -42.55 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.353 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.728 HG23 ' O ' ' C' ' 4' ' ' LEU . 99.4 t -60.67 -44.09 96.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.004 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -59.61 -41.2 89.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.3 -42.19 96.28 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 11' ' ' LEU . 83.7 mt -62.87 -42.62 99.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.379 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.1 mt -62.97 -44.01 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.697 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.77 -43.93 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.09 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.524 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 51.4 t-20 -61.12 -46.31 91.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.757 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.2 t -60.64 -44.45 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.118 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -43.26 98.84 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.12 -43.06 99.47 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.36 -49.77 75.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -60.36 -46.49 89.76 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.7 m -54.63 -44.6 73.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.65 -42.37 99.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.739 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.645 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.19 -49.9 76.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.31 -41.87 90.07 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.522 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.4 96.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.676 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.94 83.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.609 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.14 -45.76 93.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.407 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -56.41 -41.76 76.85 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.97 -43.74 98.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.904 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.04 93.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.825 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -60.47 -30.57 69.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.08 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -80.07 -1.9 41.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.431 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.17 14.35 74.78 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -97.03 80.72 2.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.834 0.35 . . . . 0.0 110.266 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -65.25 -34.96 79.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.515 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.92 77.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.974 0.416 . . . . 0.0 110.677 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.06 79.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.405 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -47.56 82.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.476 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -61.68 -43.13 99.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.647 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.99 99.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.78 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.06 -42.35 94.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.584 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.555 ' SD ' HD12 ' C' ' 95' ' ' ILE . 72.6 mtm -63.82 -40.2 96.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.59 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.67 -45.52 93.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.914 0.388 . . . . 0.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -62.11 -39.69 93.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.333 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . 0.421 ' HB2' ' HE ' ' C' ' 88' ' ' ARG . 68.7 m -61.03 -45.22 95.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.537 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.402 ' HB2' ' NH2' ' C' ' 88' ' ' ARG . 74.3 ttt180 -60.37 -42.0 94.91 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.373 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.8 ttp -60.49 -43.4 97.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.332 0.587 . . . . 0.0 110.517 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.19 -42.39 96.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.354 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.2 mt -64.8 -40.73 95.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.734 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.19 -41.68 97.25 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.317 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -65.22 -40.66 94.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.026 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.524 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.23 -44.53 79.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.433 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.34 -39.03 89.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.321 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 42.3 mt -61.42 -44.65 96.76 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.263 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.7 t -65.12 -43.75 95.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.056 0.455 . . . . 0.0 109.97 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.544 ' OE1' ' CD2' ' C' ' 74' ' ' LEU . 5.4 tp-100 -59.76 -43.42 94.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.276 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.67 HG21 ' CG2' ' D' ' 356' ' ' THR . 20.0 m -55.97 -43.92 78.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.118 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.3 -41.32 93.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.544 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.495 HD11 HG11 ' C' ' 7' ' ' VAL . 96.7 mt -67.11 -39.23 86.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.75 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 95.5 mt -66.54 -39.88 85.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.5 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.7 mm-40 -69.93 -30.52 67.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.467 -179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.83 -14.22 65.43 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -98.49 -23.68 15.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.838 0.351 . . . . 0.0 110.493 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.67 108.49 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.488 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.22 138.62 16.11 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -87.97 114.7 24.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.362 . . . . 0.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.15 -5.3 42.97 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -105.85 -165.5 1.11 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.609 0.242 . . . . 0.0 110.581 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . 0.538 ' SD ' HD22 ' A' ' 72' ' ' LEU . 77.4 mtm -62.77 141.14 58.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.58 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.435 ' HG2' HG13 ' C' ' 70' ' ' VAL . 61.5 tttp -40.41 -90.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.435 HG13 ' HG2' ' C' ' 69' ' ' LYS . 33.3 m -92.52 -144.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.718 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.497 ' O ' HG23 ' C' ' 75' ' ' VAL . 99.7 p -133.98 173.7 11.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.538 -178.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.422 HD11 ' N ' ' B' ' 72' ' ' LEU . 6.2 tt -60.57 -43.55 97.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.697 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.408 ' CG1' HG21 ' C' ' 8' ' ' VAL . 46.0 t -62.17 -45.96 97.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 C-N-CA 130.097 3.359 . . . . 0.0 110.61 -178.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.544 ' CD2' ' OE1' ' C' ' 55' ' ' GLN . 37.1 mt -63.8 -38.24 90.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.031 0.443 . . . . 0.0 110.981 177.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.497 HG23 ' O ' ' C' ' 71' ' ' SER . 63.2 t -59.65 -47.91 89.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.16 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.18 -44.72 94.84 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.301 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.531 ' CB ' HE22 ' C' ' 55' ' ' GLN . . . -62.52 -44.18 96.98 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.881 0.372 . . . . 0.0 110.431 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -61.7 -37.76 85.32 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.232 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' C' ' 83' ' ' THR . 35.7 tp -58.07 -47.27 83.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.435 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.433 ' O ' ' OG1' ' C' ' 83' ' ' THR . 74.8 m80 -67.23 -47.35 71.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.733 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.43 -45.1 95.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.831 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.81 -42.27 98.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.402 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.0 p -63.69 -46.02 87.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.209 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.9 t -62.57 -48.48 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.604 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.8 ttp -58.1 -48.06 81.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.536 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.65 -43.54 98.66 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.131 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.81 -48.03 82.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.931 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.421 ' HE ' ' HB2' ' C' ' 44' ' ' SER . 69.2 ttt-85 -58.17 -45.9 86.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.253 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.28 -44.57 95.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.177 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.89 -42.84 94.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.174 0.511 . . . . 0.0 110.035 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.645 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.0 mt -61.03 -42.54 93.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.379 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 78.9 m -57.8 -45.64 85.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.003 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.27 -42.69 99.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.499 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.497 HD13 ' OE1' ' B' ' 93' ' ' GLU . 77.5 mt -59.73 -42.6 93.5 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . 0.555 HD12 ' SD ' ' C' ' 41' ' ' MET . 87.2 mt -60.95 -43.11 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.604 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.14 -38.72 87.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.744 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.37 -41.26 98.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.907 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -59.34 -40.23 85.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.713 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.29 -39.88 88.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.5 -36.08 83.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.172 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 45.4 mt -83.01 -7.66 59.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.289 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 68.6 mttm 57.64 25.96 12.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.481 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.474 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.532 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 121.93 0.872 . . . . 0.0 108.926 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.463 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.68 142.98 36.89 Favored 'General case' 0 C--N 1.289 -2.055 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.36 38.7 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.961 -1.087 . . . . 0.0 109.59 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.16 149.17 28.47 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.32 18.95 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.017 -1.052 . . . . 0.0 108.408 178.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.86 144.33 19.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.7 136.57 37.05 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 122.139 0.971 . . . . 0.0 110.154 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.2 mt -84.87 114.36 24.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.94 -4.3 19.25 Favored 'General case' 0 C--N 1.265 -3.1 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.812 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.79 85.77 Favored Pre-proline 0 N--CA 1.499 1.996 0 O-C-N 119.657 -1.902 . . . . 0.0 110.616 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.52 -47.64 12.98 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 124.798 3.665 . . . . 0.0 114.138 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -102.16 27.57 6.55 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 116.055 -2.258 . . . . 0.0 108.721 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.55 -136.66 50.38 Favored Glycine 0 N--CA 1.497 2.75 0 C-N-CA 117.731 -2.176 . . . . 0.0 109.533 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.524 HD12 HD13 ' D' ' 355' ' ' LEU . 3.6 mt -91.54 70.5 5.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.902 -1.352 . . . . 0.0 109.455 -176.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.742 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.7 OUTLIER -60.63 176.21 0.4 Allowed 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 117.927 -1.509 . . . . 0.0 112.093 -179.315 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 3.6 p -42.89 -65.61 0.46 Allowed 'General case' 0 N--CA 1.504 2.269 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -177.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.48 ' N ' ' OG1' ' D' ' 316' ' ' THR . 4.4 tmm_? -58.03 -50.58 87.33 Favored Pre-proline 0 N--CA 1.493 1.685 0 C-N-CA 120.195 -0.602 . . . . 0.0 112.517 -177.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.2 -32.31 63.0 Favored 'Trans proline' 0 C--N 1.319 -1.015 0 C-N-CA 120.854 1.036 . . . . 0.0 111.456 -176.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.48 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.91 -38.83 86.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.244 -0.91 . . . . 0.0 109.52 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.497 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.96 -39.7 72.39 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.91 -39.45 94.19 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.497 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.68 -45.33 93.26 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.579 1.181 . . . . 0.0 108.669 -177.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.48 HG23 ' O ' ' D' ' 319' ' ' ALA . 58.0 t -62.64 -42.27 95.38 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-N 114.865 -1.061 . . . . 0.0 110.672 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.83 -40.32 96.33 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.184 -0.947 . . . . 0.0 109.743 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.85 -39.63 79.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.4 -0.812 . . . . 0.0 109.574 178.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.03 91.69 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.623 -1.298 . . . . 0.0 109.481 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.24 -16.31 43.88 Favored 'General case' 0 N--CA 1.51 2.543 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.83 -10.6 86.0 Favored Glycine 0 N--CA 1.48 1.611 0 O-C-N 119.958 -1.714 . . . . 0.0 109.322 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.43 143.31 32.87 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.198 -1.766 . . . . 0.0 110.008 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.61 -30.05 59.42 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.305 -0.872 . . . . 0.0 112.363 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.8 158.56 10.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 119.804 -1.81 . . . . 0.0 112.794 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.575 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.0 130.31 35.39 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 102.8 -3.037 . . . . 0.0 102.8 171.316 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.69 136.58 60.39 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.396 0 O-C-N 121.07 -1.018 . . . . 0.0 109.298 -178.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -124.94 143.14 51.03 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 123.052 1.406 . . . . 0.0 110.013 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.07 129.91 61.48 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.727 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 173.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.421 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.43 119.58 26.46 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 120.899 -1.126 . . . . 0.0 108.929 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.52 122.61 39.32 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.557 -0.714 . . . . 0.0 109.907 177.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.66 38.99 24.2 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.819 -1.176 . . . . 0.0 112.799 -179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.7 10.98 83.54 Favored Glycine 0 N--CA 1.501 3.015 0 O-C-N 119.917 -1.739 . . . . 0.0 112.536 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 105.271 -2.122 . . . . 0.0 105.271 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.73 158.52 33.05 Favored 'General case' 0 C--N 1.276 -2.615 0 CA-C-O 123.772 1.748 . . . . 0.0 112.444 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.37 Favored 'General case' 0 C--N 1.279 -2.467 0 CA-C-N 112.449 -2.159 . . . . 0.0 108.629 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.63 135.95 48.78 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.92 -6.78 47.51 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.751 -1.218 . . . . 0.0 110.73 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.52 13.0 31.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.634 -1.291 . . . . 0.0 109.331 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 67.8 m -133.13 104.22 6.4 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.249 1.023 . . . . 0.0 110.108 -178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 48.8 tp -57.2 -38.03 73.08 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.921 178.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -58.87 -51.36 70.37 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.571 -1.331 . . . . 0.0 113.016 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.41 70.47 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 119.543 -1.973 . . . . 0.0 109.26 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.81 -33.75 75.86 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 118.969 -1.092 . . . . 0.0 109.944 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.58 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 69.3 tp60 -67.66 -10.47 52.52 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.649 -0.657 . . . . 0.0 109.935 -177.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.7 p -89.84 -7.6 53.92 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 118.075 -1.45 . . . . 0.0 110.963 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . 0.527 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 97.4 mt -93.4 159.27 15.33 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.192 -0.943 . . . . 0.0 110.164 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.87 2.96 Favored Glycine 0 N--CA 1.485 1.943 0 N-CA-C 106.943 -2.463 . . . . 0.0 106.943 177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . 0.524 HD13 HD12 ' D' ' 314' ' ' LEU . 90.5 mt -119.64 47.44 1.72 Allowed 'General case' 0 C--N 1.309 -1.194 0 O-C-N 120.708 -1.466 . . . . 0.0 107.429 -178.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.729 HG22 HG21 ' C' ' 56' ' ' THR . 6.5 p -81.47 172.53 13.4 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 118.784 -1.166 . . . . 0.0 109.183 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.69 140.97 57.31 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.29 -0.964 . . . . 0.0 109.869 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.22 79.07 Favored Glycine 0 N--CA 1.5 2.947 0 C-N-CA 119.99 -1.1 . . . . 0.0 111.416 177.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.44 135.91 34.07 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.876 -1.367 . . . . 0.0 110.633 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.8 t -96.47 123.69 48.86 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 106.352 -1.721 . . . . 0.0 106.352 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.16 160.14 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 C-N-CA 117.343 -1.743 . . . . 0.0 110.661 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.421 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.8 m -108.97 128.34 54.86 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 120.585 -1.322 . . . . 0.0 107.621 175.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.82 121.39 60.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 176.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.56 147.24 50.69 Favored 'General case' 0 C--N 1.286 -2.172 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -179.57 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.46 47.2 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 118.53 -1.268 . . . . 0.0 109.752 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.532 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.84 6.44 Favored 'General case' 0 C--N 1.288 -2.083 0 C-N-CA 118.508 -1.277 . . . . 0.0 108.011 178.183 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.21 -170.28 40.11 Favored Glycine 0 C--N 1.296 -1.685 0 C-N-CA 117.977 -2.059 . . . . 0.0 110.337 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.44 -40.6 83.03 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-N 114.356 -0.922 . . . . 0.0 112.129 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 115.878 -2.329 . . . . 0.0 108.616 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -33.52 65.73 Favored 'General case' 0 N--CA 1.522 3.127 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -174.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.452 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.61 27.34 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.549 -1.969 . . . . 0.0 110.962 -176.536 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.85 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.55 -40.73 97.77 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 178.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.16 -49.42 77.92 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 117.436 -1.706 . . . . 0.0 110.051 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.9 -42.21 88.65 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 CA-C-O 122.258 1.028 . . . . 0.0 109.26 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.88 -47.98 76.41 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.965 0.888 . . . . 0.0 108.65 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.85 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.78 -38.23 76.63 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.764 -178.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.66 -28.54 58.78 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.394 -1.441 . . . . 0.0 110.92 -174.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.48 70.64 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.29 62.81 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.19 84.3 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 119.011 -1.075 . . . . 0.0 110.503 177.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.45 -37.27 85.26 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.9 -1.125 . . . . 0.0 111.551 -177.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.75 61.45 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.076 -1.015 . . . . 0.0 110.293 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.81 -32.38 46.3 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.478 -0.764 . . . . 0.0 111.337 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.01 125.5 12.24 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 124.299 2.0 . . . . 0.0 112.911 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.812 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 76.5 mt-10 . . . . . 0 C--N 1.277 -2.569 0 CA-C-N 111.148 -2.751 . . . . 0.0 110.077 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 58.9 mp0 -67.61 144.81 55.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.506 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 6' ' ' GLU . 22.3 pt-20 -62.66 -36.81 84.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.514 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 8' ' ' VAL . 64.4 mt -38.6 -32.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.474 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 3' ' ' GLU . 75.0 mm-40 -64.63 -47.01 80.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.88 0.371 . . . . 0.0 110.282 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 3' ' ' GLU . 84.7 tt0 -67.42 -36.23 80.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.247 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.432 HG11 HD11 ' A' ' 58' ' ' LEU . 79.7 t -63.92 -42.5 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.408 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 4' ' ' LEU . 70.6 t -61.09 -44.87 99.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.952 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -59.31 -42.06 90.48 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.44 -42.07 97.75 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.2 mt -63.45 -43.01 98.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.869 0.366 . . . . 0.0 110.185 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.16 -44.71 99.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.75 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.497 HD11 ' HB1' ' D' ' 320' ' ' ALA . 85.9 mt -63.17 -44.28 99.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.941 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -61.45 -45.01 96.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.818 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.432 ' OG ' ' OG ' ' A' ' 84' ' ' SER . 11.9 t -60.7 -45.21 95.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.031 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -42.16 99.24 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -63.62 -45.36 90.63 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.44 -48.76 79.67 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.828 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.0 -45.65 93.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.84 -44.66 82.31 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -61.65 -41.54 97.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.737 178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.599 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -56.96 -48.57 78.03 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -59.9 -41.05 90.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.592 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.46 94.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.749 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.2 -43.79 87.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.703 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.11 -44.49 97.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.443 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -55.4 -42.21 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.22 0.533 . . . . 0.0 109.597 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.14 -41.42 96.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.788 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.31 93.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.677 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.02 -29.36 70.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.196 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.37 -4.98 53.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.448 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.98 80.41 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -95.18 80.95 3.61 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.8 0.333 . . . . 0.0 110.238 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -65.37 -35.4 80.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.662 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -51.52 67.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.032 0.444 . . . . 0.0 110.821 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.65 81.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.306 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.67 -49.27 77.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.58 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.94 -41.35 96.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.67 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.21 -40.03 94.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.766 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.4 mmm -65.06 -41.94 94.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.503 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.554 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 99.5 mmm -63.75 -39.84 95.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.612 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -62.38 -44.89 95.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.0 0.429 . . . . 0.0 110.522 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.53 -40.33 96.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.236 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.3 t -61.68 -45.72 92.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.577 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.715 ' NH2' HH12 ' A' ' 88' ' ' ARG . 62.7 ttm-85 -60.57 -42.38 96.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.342 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.2 mtt -61.7 -42.76 99.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.236 0.541 . . . . 0.0 110.61 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.33 -41.84 96.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.208 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' A' ' 18' ' ' ALA . 95.3 mt -65.68 -39.79 91.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.676 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -61.27 -41.48 97.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.263 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -65.0 -40.06 94.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.127 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.08 79.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.511 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -61.97 -38.48 88.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.376 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -61.27 -43.11 99.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.324 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.5 t -65.52 -43.53 94.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.129 0.49 . . . . 0.0 110.071 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.633 HE22 ' CG1' ' A' ' 59' ' ' ILE . 8.2 tm0? -60.97 -42.64 98.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.21 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -56.9 -43.41 81.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.041 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.34 -38.39 89.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.54 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.432 HD11 HG11 ' A' ' 7' ' ' VAL . 97.8 mt -63.86 -28.44 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.633 ' CG1' HE22 ' A' ' 55' ' ' GLN . 71.8 mt -90.17 -31.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.77 -9.01 59.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.472 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.0 -170.08 9.57 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.585 ' OD1' ' N ' ' A' ' 63' ' ' ALA . 67.5 t0 -63.76 142.01 58.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.552 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.585 ' N ' ' OD1' ' A' ' 62' ' ' ASP . . . -61.42 144.12 54.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.485 ' O ' ' O ' ' A' ' 67' ' ' LYS . . . -66.86 160.11 48.37 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.569 ' C ' ' H ' ' A' ' 67' ' ' LYS . 14.3 pt-20 -66.07 127.43 32.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.723 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.23 -29.98 0.32 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.569 ' H ' ' C ' ' A' ' 65' ' ' GLU . 99.5 mttt -100.81 146.2 27.59 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.721 0.296 . . . . 0.0 110.445 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.1 mtm -76.11 -116.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.607 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -96.69 -16.28 21.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.93 0.395 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.3 t -96.76 114.87 34.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.737 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.556 ' O ' HG23 ' A' ' 75' ' ' VAL . 96.6 p -130.76 161.92 30.65 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 72' ' ' LEU . 35.5 mt -57.37 -43.94 83.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.65 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.635 HG13 HG21 ' A' ' 8' ' ' VAL . 53.8 t -64.26 -47.66 88.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-O 120.925 0.393 . . . . 0.0 110.585 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.5 -41.68 98.53 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 71' ' ' SER . 54.0 t -58.93 -46.86 91.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.211 -179.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.38 -45.19 92.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.787 0.327 . . . . 0.0 110.307 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.63 92.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.801 0.334 . . . . 0.0 110.656 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -62.96 -40.16 96.86 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.169 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 83' ' ' THR . 42.9 tp -57.31 -47.06 82.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.416 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -67.29 -46.95 72.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.708 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.73 -46.39 89.84 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.756 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.57 -44.19 97.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.244 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.8 p -62.91 -47.56 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.05 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.432 ' OG ' ' OG ' ' A' ' 15' ' ' SER . 66.0 m -61.39 -48.37 81.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.88 -48.34 80.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.55 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -61.36 -45.14 95.61 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.098 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -47.43 85.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.808 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.715 HH12 ' NH2' ' A' ' 45' ' ' ARG . 1.9 tmt_? -58.48 -45.68 88.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.082 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.37 -43.18 99.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.077 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.89 -42.99 97.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.114 0.483 . . . . 0.0 109.859 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.599 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.1 mt -60.95 -42.26 92.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.282 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.554 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 18.4 m -57.11 -46.32 82.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.005 0.431 . . . . 0.0 109.847 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.479 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.5 mt-10 -63.28 -42.78 99.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.557 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 79.8 mt -60.08 -43.25 95.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.1 -42.96 95.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.47 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -61.33 -38.96 88.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.757 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 97' ' ' LEU . 34.1 mt -62.37 -41.38 98.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.814 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.549 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 70.4 m80 -60.31 -39.7 87.94 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.493 ' O ' ' O ' ' A' ' 102' ' ' LYS . 80.7 tt0 -62.22 -39.4 92.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.225 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.88 -38.78 92.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.255 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.8 mt -63.88 -42.43 97.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.417 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.493 ' O ' ' O ' ' A' ' 99' ' ' GLU . 54.1 mtpt -94.26 142.48 27.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.57 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.875 -1.06 . . . . 0.0 110.547 -179.891 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' B' ' 2' ' ' GLU . 59.1 mp0 -67.28 144.57 55.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.542 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' B' ' 6' ' ' GLU . 22.4 pt-20 -62.42 -36.8 83.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.436 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.637 ' O ' HG23 ' B' ' 8' ' ' VAL . 65.3 mt -38.89 -32.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.474 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -64.4 -47.21 80.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.91 0.386 . . . . 0.0 110.366 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.8 tt0 -67.13 -36.19 81.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.211 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.405 HG11 HD11 ' B' ' 58' ' ' LEU . 79.6 t -64.13 -42.44 95.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.358 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 4' ' ' LEU . 71.0 t -61.11 -44.95 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.872 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mtp -59.49 -41.91 90.92 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.23 -42.37 97.92 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.235 -1.146 . . . . 0.0 110.235 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' B' ' 11' ' ' LEU . 34.6 mt -63.46 -42.84 98.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.308 . . . . 0.0 110.342 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.21 -44.85 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.763 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.03 -44.43 99.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.926 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -61.3 -45.24 95.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.854 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . 0.421 ' OG ' ' OG ' ' B' ' 84' ' ' SER . 11.6 t -60.22 -45.33 93.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.109 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.47 -42.21 99.06 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.41 -45.41 91.12 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.41 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.53 -48.43 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.945 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -61.25 -45.68 93.52 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.71 -44.78 81.91 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.61 -41.71 97.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.741 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.6 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -56.78 -48.58 77.57 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -59.87 -41.26 91.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.685 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.13 -41.58 93.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.758 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.73 87.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.664 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.21 -44.75 96.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.31 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -55.21 -42.11 72.91 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -61.31 -41.54 97.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.89 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.32 92.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.703 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.71 -29.62 70.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.062 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -79.49 -4.85 53.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.364 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.88 11.8 80.86 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -94.92 80.56 3.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 110.341 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.32 -35.21 80.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.592 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -51.41 67.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.025 0.44 . . . . 0.0 110.786 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.37 -35.25 79.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.394 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.61 75.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.528 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -60.64 -41.48 95.01 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.538 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.53 96.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.582 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.4 mmm -64.73 -42.04 95.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.532 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 99.6 mmm -63.43 -40.47 97.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.533 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -61.75 -45.46 93.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.494 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.16 -40.39 97.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.338 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.0 t -61.41 -45.91 92.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.491 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.716 ' NH2' HH12 ' B' ' 88' ' ' ARG . 62.7 ttm-85 -60.39 -42.66 96.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.273 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.44 -42.98 99.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.301 0.572 . . . . 0.0 110.66 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.12 -42.27 96.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.136 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.41 HD21 ' CB ' ' B' ' 18' ' ' ALA . 95.3 mt -65.2 -39.89 93.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.724 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -61.17 -41.49 96.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.393 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.99 -40.09 94.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.156 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.84 -44.97 79.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.454 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -62.29 -38.29 88.81 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.339 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.38 -43.32 99.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.327 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.23 -43.68 95.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.012 0.434 . . . . 0.0 109.921 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.625 HE22 ' CG1' ' B' ' 59' ' ' ILE . 8.1 tm0? -60.87 -43.04 98.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.232 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -56.66 -43.31 80.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.935 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.38 -38.72 90.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.883 0.373 . . . . 0.0 110.557 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.405 HD11 HG11 ' B' ' 7' ' ' VAL . 97.6 mt -63.6 -28.49 69.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.754 -179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.625 ' CG1' HE22 ' B' ' 55' ' ' GLN . 71.9 mt -90.04 -31.75 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.54 -8.96 59.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.508 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.9 -170.63 9.92 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.568 ' OD1' ' N ' ' B' ' 63' ' ' ALA . 67.4 t0 -63.33 141.73 58.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.574 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.568 ' N ' ' OD1' ' B' ' 62' ' ' ASP . . . -61.4 144.2 54.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.413 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' B' ' 67' ' ' LYS . . . -67.2 159.9 49.4 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.574 ' C ' ' H ' ' B' ' 67' ' ' LYS . 14.2 pt-20 -65.66 127.67 32.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.786 0.327 . . . . 0.0 110.663 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.05 -29.8 0.3 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.574 ' H ' ' C ' ' B' ' 65' ' ' GLU . 99.5 mttt -101.03 146.0 27.99 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.603 0.24 . . . . 0.0 110.486 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -75.92 -116.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.611 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -97.54 -15.76 20.39 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -98.1 114.69 36.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.821 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.598 ' O ' HG23 ' B' ' 75' ' ' VAL . 95.6 p -130.43 164.22 25.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.566 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 72' ' ' LEU . 38.0 mt -60.08 -43.53 95.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.531 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.629 HG13 HG21 ' B' ' 8' ' ' VAL . 54.9 t -63.59 -46.82 93.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 -178.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.18 -40.91 97.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.598 HG23 ' O ' ' B' ' 71' ' ' SER . 53.4 t -59.44 -47.18 91.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.261 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -59.49 -44.57 93.05 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.345 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.5 90.74 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-O 120.854 0.359 . . . . 0.0 110.329 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -62.91 -39.84 95.76 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.256 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.497 ' O ' HG23 ' B' ' 83' ' ' THR . 43.7 tp -57.56 -46.93 83.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.394 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -67.46 -46.78 72.04 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.764 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 56.3 mt -61.93 -46.25 90.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.47 -44.41 97.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.203 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.497 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.1 p -62.86 -47.3 83.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.149 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.421 ' OG ' ' OG ' ' B' ' 15' ' ' SER . 67.3 m -61.55 -48.29 81.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.651 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -57.91 -48.3 80.29 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.445 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.47 -45.21 95.21 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.131 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.53 84.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.897 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.716 HH12 ' NH2' ' B' ' 45' ' ' ARG . 1.9 tmt_? -58.17 -45.92 86.65 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.218 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.418 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.9 mt-10 -61.29 -43.26 99.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.12 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.7 -43.02 97.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.055 0.455 . . . . 0.0 110.011 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.6 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.3 mt -60.99 -42.26 92.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.206 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 17.8 m -57.05 -46.13 82.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.005 0.431 . . . . 0.0 109.886 179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.471 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.1 mt-10 -63.52 -42.97 98.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.536 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.53 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 81.1 mt -59.64 -43.54 93.81 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.77 -43.15 94.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.518 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.27 -38.92 88.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.743 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' B' ' 97' ' ' LEU . 33.1 mt -62.6 -41.11 98.77 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.835 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.0 m80 -60.35 -39.72 88.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.498 ' O ' ' O ' ' B' ' 102' ' ' LYS . 80.7 tt0 -62.32 -39.66 93.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.087 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.7 -39.1 93.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.143 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.0 mt -63.4 -42.32 98.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.38 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.498 ' O ' ' O ' ' B' ' 99' ' ' GLU . 53.8 mtpt -94.54 142.3 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.563 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.933 -1.032 . . . . 0.0 110.54 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' C' ' 2' ' ' GLU . 59.3 mp0 -67.05 144.75 55.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.596 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' C' ' 6' ' ' GLU . 22.5 pt-20 -62.37 -36.98 83.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.373 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.659 ' O ' HG23 ' C' ' 8' ' ' VAL . 64.6 mt -38.69 -32.75 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.439 -179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.53 -47.27 79.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.888 0.375 . . . . 0.0 110.409 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.4 tt0 -66.88 -36.6 82.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.294 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.411 HG11 HD11 ' C' ' 58' ' ' LEU . 79.7 t -63.85 -42.61 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.328 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.659 HG23 ' O ' ' C' ' 4' ' ' LEU . 76.4 t -60.95 -44.98 99.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.126 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 91.9 mtp -59.3 -42.01 90.31 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.22 -42.26 97.98 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' C' ' 11' ' ' LEU . 34.9 mt -63.48 -42.88 98.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.904 0.383 . . . . 0.0 110.388 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.23 -44.55 99.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.648 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.21 -44.45 99.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.002 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -61.2 -45.26 95.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.8 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . 0.418 ' OG ' ' OG ' ' C' ' 84' ' ' SER . 11.7 t -60.38 -45.12 94.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.145 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.4 -42.58 99.05 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.106 -1.197 . . . . 0.0 110.106 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.33 -45.12 92.78 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.82 79.98 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.92 -45.79 93.25 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.57 -45.15 81.46 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.04 -41.88 97.41 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.688 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.599 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -56.9 -48.44 78.2 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.418 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.8 m-85 -60.07 -41.12 91.72 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.591 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.54 93.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.742 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.81 87.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.567 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.05 -44.62 97.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.43 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -55.57 -41.95 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -61.39 -41.04 96.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.927 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.21 93.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.754 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.4 -29.18 70.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.039 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -79.6 -4.74 52.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.528 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.96 12.09 80.24 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.18 80.79 3.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.756 0.312 . . . . 0.0 110.247 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -65.51 -35.19 80.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.535 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.28 -51.45 67.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.059 0.457 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.28 79.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.402 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.44 76.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.507 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -60.7 -41.71 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.582 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.21 94.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.778 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.03 -42.17 94.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.605 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.551 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 99.4 mmm -63.38 -40.22 96.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.61 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -61.89 -45.17 94.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.895 0.379 . . . . 0.0 110.46 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.31 -40.38 97.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.374 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 39.0 t -61.7 -45.91 91.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.562 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.713 ' NH2' HH12 ' C' ' 88' ' ' ARG . 62.7 ttm-85 -60.53 -41.98 95.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.303 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.0 mtt -61.9 -43.15 99.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.336 0.588 . . . . 0.0 110.554 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.46 98.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.31 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.13 -39.73 93.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.776 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -61.54 -41.17 96.95 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.358 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -65.17 -40.54 94.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.99 0.424 . . . . 0.0 110.056 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.35 -45.42 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.442 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -61.66 -38.6 88.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -61.45 -43.01 99.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.324 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 77.7 t -65.37 -43.45 94.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.033 0.444 . . . . 0.0 109.985 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.615 HE22 ' CG1' ' C' ' 59' ' ' ILE . 7.8 tm0? -60.91 -43.26 98.79 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.291 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.729 HG21 HG22 ' D' ' 356' ' ' THR . 17.8 m -56.43 -43.24 79.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.125 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -62.65 -38.36 90.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.883 0.373 . . . . 0.0 110.482 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.411 HD11 HG11 ' C' ' 7' ' ' VAL . 97.6 mt -63.74 -28.47 69.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.805 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.615 ' CG1' HE22 ' C' ' 55' ' ' GLN . 71.6 mt -90.21 -31.57 5.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.58 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.8 mm-40 -81.62 -9.0 59.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.477 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.2 -170.2 10.44 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.581 ' OD1' ' N ' ' C' ' 63' ' ' ALA . 67.5 t0 -63.71 141.98 58.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.876 0.369 . . . . 0.0 110.463 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.581 ' N ' ' OD1' ' C' ' 62' ' ' ASP . . . -61.54 144.01 55.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.428 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' C' ' 67' ' ' LYS . . . -67.16 159.7 49.52 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . 0.565 ' C ' ' H ' ' C' ' 67' ' ' LYS . 14.2 pt-20 -65.43 127.82 33.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.53 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.86 -29.79 0.29 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' C' ' 65' ' ' GLU . 99.5 mttt -101.05 145.9 28.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.656 0.265 . . . . 0.0 110.546 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 78.2 mtm -75.86 -116.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.607 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -97.31 -15.55 20.71 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -98.0 114.23 34.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.773 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.617 ' O ' HG23 ' C' ' 75' ' ' VAL . 95.8 p -129.18 166.63 18.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.488 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' C' ' 72' ' ' LEU . 20.2 mt -61.98 -42.69 99.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.706 -177.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.576 HG13 HG21 ' C' ' 8' ' ' VAL . 55.8 t -64.85 -47.3 88.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 130.072 3.349 . . . . 0.0 110.589 -178.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.09 -40.94 91.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.059 0.456 . . . . 0.0 110.926 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.617 HG23 ' O ' ' C' ' 71' ' ' SER . 54.2 t -59.54 -47.48 90.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.226 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.54 -44.71 93.14 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.305 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.34 -44.72 90.6 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.913 0.387 . . . . 0.0 110.456 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -62.84 -39.99 96.05 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.285 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' C' ' 83' ' ' THR . 43.2 tp -57.21 -47.13 82.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.528 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 45.2 m170 -67.23 -47.05 71.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.767 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 55.6 mt -62.0 -45.96 91.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.82 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.67 -44.04 97.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.372 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.3 p -63.25 -47.18 83.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.179 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . 0.418 ' OG ' ' OG ' ' C' ' 15' ' ' SER . 66.6 m -61.76 -48.07 82.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.519 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -58.12 -48.25 80.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.711 0.291 . . . . 0.0 110.462 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.54 -45.17 95.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.168 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.87 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.908 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.713 HH12 ' NH2' ' C' ' 45' ' ' ARG . 1.9 tmt_? -57.88 -45.89 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.238 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.25 -43.36 99.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.134 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.78 -42.73 97.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.174 0.512 . . . . 0.0 110.009 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.599 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.9 mt -61.12 -42.35 92.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.408 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.551 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 17.9 m -56.86 -46.05 82.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.048 0.451 . . . . 0.0 109.939 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.76 -43.01 97.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.557 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.6 mt -59.5 -43.32 93.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.506 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.4 mt -61.09 -42.98 95.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.578 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -61.3 -38.84 88.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.738 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 97' ' ' LEU . 33.2 mt -62.46 -41.43 98.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.851 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 70.4 m80 -60.24 -39.99 88.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.716 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.504 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.3 tt0 -62.06 -39.36 92.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.127 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.72 -39.18 93.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.192 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.5 mt -63.62 -42.24 98.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.415 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.504 ' O ' ' O ' ' C' ' 99' ' ' GLU . 53.8 mtpt -94.45 142.48 27.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.444 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.525 179.909 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.536 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 121.845 0.831 . . . . 0.0 109.002 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.84 143.07 36.61 Favored 'General case' 0 C--N 1.288 -2.109 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.481 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.08 156.27 38.39 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.067 -1.02 . . . . 0.0 109.552 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.24 28.58 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.28 19.01 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.087 -1.008 . . . . 0.0 108.439 178.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.31 19.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.66 136.58 36.99 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.117 0.96 . . . . 0.0 110.186 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -84.87 114.3 24.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 N-CA-C 105.359 -2.089 . . . . 0.0 105.359 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.9 -4.28 19.33 Favored 'General case' 0 C--N 1.264 -3.125 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.803 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.59 141.77 85.54 Favored Pre-proline 0 N--CA 1.501 2.076 0 O-C-N 119.765 -1.835 . . . . 0.0 110.618 178.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.45 -47.65 12.82 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 124.748 3.632 . . . . 0.0 114.146 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.542 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.1 m-20 -102.13 27.54 6.56 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 116.055 -2.258 . . . . 0.0 108.811 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.2 -142.25 47.71 Favored Glycine 0 N--CA 1.497 2.722 0 C-N-CA 117.611 -2.233 . . . . 0.0 109.618 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' D' ' 314' ' ' LEU . 13.1 tp -90.64 75.07 6.66 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.972 -1.311 . . . . 0.0 109.491 -177.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.644 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.7 p80 -68.72 175.63 3.45 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 117.908 -1.517 . . . . 0.0 112.102 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.457 HG23 ' H ' ' D' ' 316' ' ' THR . 12.7 p -39.35 -66.19 0.31 Allowed 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 117.337 2.347 . . . . 0.0 117.337 -177.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.447 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 1.8 tmm_? -56.56 -52.27 74.71 Favored Pre-proline 0 N--CA 1.492 1.668 0 C-N-CA 120.121 -0.632 . . . . 0.0 112.565 -177.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.36 -32.25 61.24 Favored 'Trans proline' 0 C--N 1.317 -1.12 0 C-N-CA 120.753 0.969 . . . . 0.0 111.492 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.504 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.95 -38.91 86.99 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.237 -0.914 . . . . 0.0 109.449 -179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.502 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.93 -39.71 72.5 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.91 -39.48 94.27 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 118.002 -1.479 . . . . 0.0 109.459 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.71 -45.27 93.52 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 122.596 1.188 . . . . 0.0 108.715 -177.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.611 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 64.5 t -62.69 -42.25 95.4 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.276 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.651 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.559 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.3 mttt -63.86 -40.28 96.2 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.181 -0.949 . . . . 0.0 109.812 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.77 -39.73 80.06 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.474 -0.766 . . . . 0.0 109.528 177.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.0 91.7 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.627 -1.296 . . . . 0.0 109.399 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . 0.611 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 62.8 mttp -61.31 -16.23 43.65 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.237 -0.915 . . . . 0.0 113.388 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.58 86.12 Favored Glycine 0 N--CA 1.479 1.54 0 O-C-N 119.895 -1.753 . . . . 0.0 109.247 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.405 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.5 143.35 32.83 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.183 -1.775 . . . . 0.0 110.004 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.2 p -75.6 -30.14 59.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.238 -0.914 . . . . 0.0 112.284 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.69 158.59 9.94 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.769 -1.832 . . . . 0.0 112.85 -179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.575 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.03 130.32 35.39 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 102.736 -3.061 . . . . 0.0 102.736 171.314 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.74 136.58 60.38 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.429 0 CA-C-O 122.191 0.996 . . . . 0.0 109.299 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -124.95 143.23 50.99 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 123.104 1.431 . . . . 0.0 109.963 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.11 129.95 61.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.731 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 173.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.46 119.54 26.34 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.812 -1.18 . . . . 0.0 108.942 -178.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.58 122.63 39.32 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.902 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.7 39.04 24.44 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.808 -1.182 . . . . 0.0 112.751 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.56 11.06 83.59 Favored Glycine 0 N--CA 1.502 3.065 0 O-C-N 119.903 -1.748 . . . . 0.0 112.55 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.79 158.54 33.09 Favored 'General case' 0 C--N 1.275 -2.635 0 CA-C-O 123.799 1.761 . . . . 0.0 112.408 -175.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.38 Favored 'General case' 0 C--N 1.279 -2.48 0 CA-C-N 112.484 -2.144 . . . . 0.0 108.613 177.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.61 135.97 48.84 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 173.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.02 -6.73 47.43 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.758 -1.214 . . . . 0.0 110.686 179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.48 12.98 31.47 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.622 -1.299 . . . . 0.0 109.392 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 68.4 m -133.05 104.14 6.38 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 122.114 0.959 . . . . 0.0 110.169 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.456 HD22 ' CE ' ' A' ' 9' ' ' MET . 53.7 tp -57.24 -37.95 73.05 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.944 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -58.85 -51.33 70.46 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.595 -1.316 . . . . 0.0 113.044 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.44 70.51 Favored 'General case' 0 C--O 1.213 -0.865 0 O-C-N 119.522 -1.986 . . . . 0.0 109.204 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.81 -33.69 75.75 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.951 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.547 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 67.8 tp60 -67.62 -10.54 53.07 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.647 -0.658 . . . . 0.0 109.907 -177.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 3.2 p -89.73 -7.81 53.68 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 118.123 -1.431 . . . . 0.0 110.926 -178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . 0.472 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.4 mt -93.34 159.25 15.34 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.194 -0.941 . . . . 0.0 110.202 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.68 104.87 2.97 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 106.845 -2.502 . . . . 0.0 106.845 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 91.1 mt -119.64 47.37 1.73 Allowed 'General case' 0 C--N 1.309 -1.173 0 O-C-N 120.702 -1.47 . . . . 0.0 107.459 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.943 HG22 HG21 ' C' ' 56' ' ' THR . 3.7 p -81.41 172.49 13.48 Favored 'General case' 0 N--CA 1.491 1.593 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.224 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -60.66 140.91 57.28 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 119.308 -0.957 . . . . 0.0 109.872 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.45 -3.22 78.9 Favored Glycine 0 N--CA 1.5 2.947 0 C-N-CA 120.028 -1.082 . . . . 0.0 111.358 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.4 135.88 34.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.909 -1.348 . . . . 0.0 110.609 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.7 t -96.39 123.72 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 N-CA-C 106.376 -1.712 . . . . 0.0 106.376 176.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.491 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.22 160.03 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 C-N-CA 117.385 -1.726 . . . . 0.0 110.625 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.6 m -108.85 128.43 54.9 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 120.484 -1.385 . . . . 0.0 107.569 175.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.87 121.37 60.72 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.24 50.7 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.5 47.23 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 118.489 -1.284 . . . . 0.0 109.732 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.3 110.84 6.42 Favored 'General case' 0 C--N 1.288 -2.1 0 C-N-CA 118.455 -1.298 . . . . 0.0 107.972 178.217 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.19 -170.32 40.12 Favored Glycine 0 C--N 1.296 -1.678 0 C-N-CA 118.02 -2.038 . . . . 0.0 110.368 178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.42 -40.5 82.64 Favored 'General case' 0 C--N 1.277 -2.545 0 CA-C-N 114.406 -0.897 . . . . 0.0 112.229 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.05 36.73 3.57 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 118.99 -2.319 . . . . 0.0 108.553 -178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.57 65.83 Favored 'General case' 0 N--CA 1.522 3.14 0 N-CA-C 116.884 2.179 . . . . 0.0 116.884 -174.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.466 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.65 27.64 Favored 'General case' 0 N--CA 1.508 2.473 0 O-C-N 119.512 -1.993 . . . . 0.0 110.979 -176.548 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.753 ' NZ ' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.7 97.65 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.5 77.62 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 117.458 -1.697 . . . . 0.0 110.056 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.87 -42.14 88.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 CA-C-O 122.122 0.963 . . . . 0.0 109.265 -178.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.93 -47.82 76.84 Favored 'General case' 0 C--N 1.287 -2.138 0 CA-C-O 122.096 0.951 . . . . 0.0 108.785 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.753 ' CE1' ' NZ ' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.83 -38.35 76.49 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.669 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.8 mt -75.61 -28.57 58.92 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.355 -1.466 . . . . 0.0 110.923 -174.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.49 70.78 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 N-CA-C 106.336 -1.728 . . . . 0.0 106.336 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.9 -49.19 63.33 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.24 84.45 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.474 177.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.491 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.33 -37.35 85.25 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.858 -1.151 . . . . 0.0 111.56 -177.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.99 -31.76 61.51 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.007 -1.058 . . . . 0.0 110.242 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.9 -32.3 45.69 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.47 -0.769 . . . . 0.0 111.337 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.0 125.45 12.1 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 124.282 1.992 . . . . 0.0 112.952 178.613 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.803 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.6 mt-10 . . . . . 0 C--N 1.276 -2.61 0 CA-C-N 111.16 -2.745 . . . . 0.0 110.097 -177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.07 140.71 58.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.559 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 6' ' ' GLU . 48.8 tp10 -61.6 136.37 57.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.491 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.687 ' O ' HG23 ' A' ' 8' ' ' VAL . 58.0 mt -37.85 -37.1 0.22 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.454 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.19 -46.1 82.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.922 0.391 . . . . 0.0 110.322 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.8 mt-10 -68.39 -34.9 76.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.261 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.5 HG11 HD11 ' A' ' 58' ' ' LEU . 94.0 t -64.25 -42.58 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.384 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 4' ' ' LEU . 86.4 t -61.45 -43.44 96.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.943 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.456 ' CE ' HD22 ' D' ' 347' ' ' LEU . 91.3 mtp -58.38 -42.16 86.44 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.03 -41.96 98.37 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.558 HD21 ' HB ' ' A' ' 54' ' ' VAL . 79.9 mt -62.92 -43.06 99.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.845 0.355 . . . . 0.0 110.201 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.6 mt -62.84 -44.45 99.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.742 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.559 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 90.5 mt -63.47 -44.49 98.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.966 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.452 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 46.8 t-20 -61.43 -45.65 93.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.812 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -60.65 -44.69 96.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.009 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.29 -43.22 98.77 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.12 -1.192 . . . . 0.0 110.12 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.7 -43.67 95.93 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.82 -49.77 75.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.827 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.27 -46.81 88.52 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.4 m -54.61 -44.21 72.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.47 -42.26 98.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.774 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.655 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -59.5 -50.31 74.41 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.87 -42.24 93.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.577 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.53 92.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.815 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.37 -42.42 86.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.646 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.26 -45.18 95.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.455 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.53 -42.34 74.45 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.46 -41.65 94.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.848 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.31 93.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.771 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.54 -29.39 69.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.114 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -79.89 -4.85 54.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.485 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.29 74.77 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.84 80.36 3.02 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.759 0.314 . . . . 0.0 110.277 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -64.24 -35.01 79.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.69 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.12 80.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.981 0.419 . . . . 0.0 110.698 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.54 81.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.11 80.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.56 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -62.38 -42.36 99.36 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.569 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.74 99.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.793 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.8 mmm -64.93 -40.45 95.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.545 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.66 -39.94 95.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.65 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -61.9 -44.63 96.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.986 0.422 . . . . 0.0 110.593 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -62.69 -40.35 96.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.175 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -60.56 -46.1 91.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.494 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.407 ' HB2' ' NH2' ' A' ' 88' ' ' ARG . 62.1 ttp180 -60.16 -42.03 94.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.308 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 61.3 mtt -61.82 -42.61 99.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.2 93.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.205 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.62 -40.29 95.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.693 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.91 -41.88 96.98 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.298 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.17 -39.95 93.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.214 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.452 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.69 -45.38 79.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.504 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -61.74 -38.29 87.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.416 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -60.62 -43.78 97.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.558 ' HB ' HD21 ' A' ' 11' ' ' LEU . 74.5 t -65.55 -43.11 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.086 0.469 . . . . 0.0 110.022 178.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.47 ' OE1' HD13 ' A' ' 11' ' ' LEU . 45.6 tp60 -60.44 -43.99 96.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.267 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.0 m -57.08 -42.81 81.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.974 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.42 -39.96 89.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.936 0.398 . . . . 0.0 110.575 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.5 HD11 HG11 ' A' ' 7' ' ' VAL . 96.6 mt -69.68 -40.56 76.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.62 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.42 -40.51 84.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.819 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.51 -12.34 58.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.503 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.69 -19.94 35.93 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -90.17 112.98 24.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.583 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.45 137.88 58.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 67' ' ' LYS . . . -106.77 4.14 36.48 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.552 ' C ' ' H ' ' A' ' 67' ' ' LYS . 85.0 tt0 -64.13 126.48 27.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.685 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.88 -35.41 0.23 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.552 ' H ' ' C ' ' A' ' 65' ' ' GLU . 30.6 mmtp -94.66 151.68 19.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.718 0.294 . . . . 0.0 110.45 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' LYS . 4.6 mpp? -46.93 156.16 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.65 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.497 ' HZ2' HG12 ' B' ' 8' ' ' VAL . 98.2 mttt -33.25 -92.03 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 71' ' ' SER . 16.9 m -87.68 -149.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.675 -178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.443 ' N ' HG23 ' A' ' 70' ' ' VAL . 70.6 p -135.89 171.61 14.21 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.32 -44.63 84.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.6 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.508 ' CG1' HG21 ' A' ' 8' ' ' VAL . 66.1 t -62.39 -45.04 99.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.878 0.37 . . . . 0.0 110.559 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.6 mt -61.06 -39.5 90.08 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.055 0.455 . . . . 0.0 110.867 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 71' ' ' SER . 56.8 t -59.94 -47.23 92.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.194 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -57.92 -46.46 84.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.41 98.93 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.684 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.636 HE22 ' CE1' ' B' ' 80' ' ' HIS . 59.3 tt0 -62.96 -39.69 95.43 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.141 179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 83' ' ' THR . 39.7 tp -57.42 -46.77 83.16 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.359 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -67.38 -47.29 70.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.733 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.81 -45.35 94.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.767 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.98 -43.58 98.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.223 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.9 p -63.06 -47.67 81.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.11 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.9 t -61.8 -49.29 76.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.42 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.4 ttp -58.34 -48.03 81.85 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.519 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.02 -44.36 96.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.036 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -47.24 82.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.769 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.407 ' NH2' ' HB2' ' A' ' 45' ' ' ARG . 76.6 ttt-85 -58.47 -44.13 89.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.132 -179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.49 ' O ' ' OE2' ' A' ' 93' ' ' GLU . 78.1 mm-40 -60.28 -44.98 94.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.089 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.2 mt -64.64 -42.14 95.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.093 0.473 . . . . 0.0 109.871 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.655 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 78.3 mt -60.52 -41.91 89.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.317 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.9 m -57.8 -45.7 85.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.461 . . . . 0.0 109.939 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' OE2' ' O ' ' A' ' 89' ' ' GLU . 0.8 OUTLIER -63.32 -43.16 98.58 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.586 179.038 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 40.3 mt -59.4 -43.9 92.89 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.65 -43.19 96.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.514 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.81 -41.45 95.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 97' ' ' LEU . 37.0 mt -62.55 -42.58 99.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.854 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 60.9 m80 -60.62 -41.52 95.01 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.484 ' O ' ' O ' ' A' ' 102' ' ' LYS . 83.3 tt0 -65.05 -38.49 91.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.171 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -64.42 -40.14 95.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.218 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 mt -64.18 -42.03 96.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.382 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.484 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.3 mttt -91.48 141.86 28.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.432 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.575 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.524 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.47 140.67 58.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.554 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' B' ' 6' ' ' GLU . 49.9 tp10 -61.3 136.48 58.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.469 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.701 ' O ' HG23 ' B' ' 8' ' ' VAL . 58.1 mt -37.96 -37.09 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.51 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.32 -46.09 81.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.326 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.5 mt-10 -68.11 -34.98 77.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.123 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.509 HG11 HD11 ' B' ' 58' ' ' LEU . 93.4 t -64.59 -42.35 94.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.355 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.701 HG23 ' O ' ' B' ' 4' ' ' LEU . 84.9 t -61.76 -43.07 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.859 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.445 ' N ' ' HZ1' ' A' ' 69' ' ' LYS . 91.3 mtp -58.64 -42.16 87.69 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.19 -41.84 98.18 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.149 -1.18 . . . . 0.0 110.149 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.547 HD21 ' HB ' ' B' ' 54' ' ' VAL . 80.5 mt -62.9 -43.04 99.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.717 0.294 . . . . 0.0 110.347 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.99 -44.53 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.665 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.38 -44.58 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.921 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.466 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 46.5 t-20 -61.13 -46.0 92.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.824 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.7 t -60.44 -44.64 95.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.145 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.33 -43.42 98.41 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -63.24 -43.88 96.78 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.75 75.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.905 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.19 -46.95 87.97 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.1 m -54.37 -44.09 71.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.77 -42.7 97.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.642 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.65 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -59.03 -50.44 74.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.7 -42.43 93.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.662 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.72 91.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.773 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.57 86.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.671 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.23 -45.27 95.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.265 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.66 -42.18 74.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.217 0.532 . . . . 0.0 109.582 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.63 -41.54 95.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.931 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.32 93.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.763 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.54 -29.38 69.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.072 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -80.05 -4.73 53.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.377 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.1 12.94 75.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.38 80.42 3.18 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.762 0.315 . . . . 0.0 110.292 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -64.48 -34.89 79.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.582 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.45 -47.92 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.032 0.444 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.6 81.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.389 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.5 79.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.577 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.93 -42.67 99.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.569 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.74 99.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.708 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.19 -40.63 94.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.556 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 91.3 mmm -63.26 -40.27 96.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.588 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -61.81 -44.5 96.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.438 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.6 -40.27 96.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.307 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -60.84 -45.82 93.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.56 -41.81 95.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.275 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.74 -42.59 99.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.275 0.56 . . . . 0.0 110.625 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.98 93.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.18 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.99 -40.29 94.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.713 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.68 -41.8 95.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.41 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -65.27 -40.27 93.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.128 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.466 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.45 -45.31 80.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.466 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.55 -38.81 88.81 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.254 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -60.42 -43.25 96.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.389 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.547 ' HB ' HD21 ' B' ' 11' ' ' LEU . 74.8 t -66.17 -43.19 92.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.075 0.464 . . . . 0.0 109.962 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.461 ' OE1' HD13 ' B' ' 11' ' ' LEU . 45.5 tp60 -60.44 -43.97 96.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m -56.69 -43.19 80.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.976 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.27 -40.05 89.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.895 0.378 . . . . 0.0 110.552 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.509 HD11 HG11 ' B' ' 7' ' ' VAL . 96.5 mt -69.66 -40.13 76.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.736 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.78 -40.54 83.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.764 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.46 -12.12 59.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.567 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.69 -20.51 34.09 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -89.76 112.76 24.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.805 0.336 . . . . 0.0 110.55 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.24 137.8 58.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.463 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.479 ' O ' ' O ' ' B' ' 67' ' ' LYS . . . -106.96 4.49 36.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' B' ' 67' ' ' LYS . 84.9 tt0 -64.24 126.38 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 0.0 110.593 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.08 -35.62 0.24 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.557 ' H ' ' C ' ' B' ' 65' ' ' GLU . 30.4 mmtp -94.61 151.82 19.01 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.65 0.262 . . . . 0.0 110.465 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . 0.456 ' O ' ' C ' ' B' ' 69' ' ' LYS . 4.6 mpp? -47.13 156.46 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.602 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.47 ' HZ2' HG12 ' C' ' 8' ' ' VAL . 98.3 mttt -33.53 -91.76 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.428 HG23 ' N ' ' B' ' 71' ' ' SER . 16.4 m -86.15 -150.99 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.795 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.428 ' N ' HG23 ' B' ' 70' ' ' VAL . 47.0 p -135.86 172.61 12.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 tt -59.5 -44.47 93.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.562 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.503 ' CG1' HG21 ' B' ' 8' ' ' VAL . 64.5 t -61.68 -44.14 98.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.64 -178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 80.5 mt -61.47 -39.14 89.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.095 0.474 . . . . 0.0 110.989 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 71' ' ' SER . 53.5 t -60.1 -47.67 91.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.273 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -57.55 -46.18 84.23 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.75 99.29 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.824 0.345 . . . . 0.0 110.412 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.624 HE22 ' CE1' ' C' ' 80' ' ' HIS . 59.0 tt0 -62.66 -39.43 93.88 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.282 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.499 ' O ' HG23 ' B' ' 83' ' ' THR . 39.3 tp -57.62 -46.74 83.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.416 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.636 ' CE1' HE22 ' A' ' 78' ' ' GLN . 77.7 m80 -67.34 -47.38 70.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.719 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.9 mt -61.7 -45.5 93.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.813 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.4 mmm -61.92 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.262 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.499 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.1 p -63.35 -47.06 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.23 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 5.3 t -62.25 -49.19 76.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.608 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -58.57 -47.72 83.32 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.777 0.323 . . . . 0.0 110.506 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -62.21 -44.33 96.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.17 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.76 -46.8 84.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.823 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -58.77 -44.26 90.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.214 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' B' ' 93' ' ' GLU . 77.3 mm-40 -59.98 -45.38 92.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.167 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.11 -42.26 96.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.139 0.495 . . . . 0.0 110.061 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.65 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 79.0 mt -60.5 -41.92 89.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.308 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 18.8 m -57.75 -45.82 85.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.048 0.451 . . . . 0.0 109.797 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.476 ' OE2' ' O ' ' B' ' 89' ' ' GLU . 0.8 OUTLIER -63.15 -43.27 98.77 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.159 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.548 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 41.3 mt -59.47 -44.06 93.1 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.54 -43.23 96.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.526 179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.67 -41.63 95.47 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' B' ' 97' ' ' LEU . 35.7 mt -62.53 -42.69 99.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.804 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.548 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 60.7 m80 -60.19 -41.81 93.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.052 0.453 . . . . 0.0 109.793 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.495 ' O ' ' O ' ' B' ' 102' ' ' LYS . 83.6 tt0 -64.92 -38.48 91.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.153 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -64.47 -40.16 95.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.169 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.98 -42.32 97.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.389 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.495 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.2 mttt -91.33 142.03 28.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.549 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.383 0 CA-C-O 117.889 -1.053 . . . . 0.0 110.545 -179.851 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.43 140.16 58.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.661 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' C' ' 6' ' ' GLU . 50.5 tp10 -60.87 136.53 58.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.354 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.695 ' O ' HG23 ' C' ' 8' ' ' VAL . 57.7 mt -37.96 -37.32 0.25 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.371 -179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.0 -46.21 82.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.833 0.349 . . . . 0.0 110.386 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.5 mt-10 -68.22 -34.62 76.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.292 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.509 HG11 HD11 ' C' ' 58' ' ' LEU . 90.9 t -64.68 -42.55 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.389 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.695 HG23 ' O ' ' C' ' 4' ' ' LEU . 84.3 t -61.53 -43.04 96.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.069 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . 0.444 ' N ' ' HZ1' ' B' ' 69' ' ' LYS . 91.7 mtp -58.7 -42.3 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.86 -41.81 98.65 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 110.245 -1.142 . . . . 0.0 110.245 178.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.572 HD21 ' HB ' ' C' ' 54' ' ' VAL . 80.3 mt -62.91 -43.24 99.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 0.0 110.353 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.97 -44.23 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.646 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.31 -44.53 99.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.116 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.447 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 46.4 t-20 -61.58 -45.76 92.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.784 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.6 t -60.56 -44.69 95.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.15 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.1 99.13 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.72 -43.74 95.65 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.69 -49.76 75.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.799 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.41 -46.79 88.75 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 48.9 m -54.63 -44.32 73.08 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.3 -42.42 99.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.737 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.653 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.63 -50.14 75.02 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.81 -42.68 94.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.508 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.79 -41.41 91.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.705 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.34 87.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.574 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.38 -44.95 96.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.387 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.05 -41.97 75.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.534 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -60.57 -41.56 94.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.96 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.55 93.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.852 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.3 -29.65 70.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.068 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -79.62 -4.73 52.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.471 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.23 74.93 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.73 80.86 3.1 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.736 0.303 . . . . 0.0 110.327 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -64.71 -34.78 79.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.539 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.39 79.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.443 . . . . 0.0 110.619 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.18 80.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.415 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -48.14 79.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.492 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -61.99 -42.73 99.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.551 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.05 -42.69 99.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.776 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 88.4 mmm -65.22 -40.56 94.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 91.6 mmm -63.26 -40.48 97.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.625 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -61.47 -44.78 96.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.934 0.397 . . . . 0.0 110.456 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.67 -40.12 96.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.36 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -60.62 -46.07 91.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.491 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -60.26 -42.0 94.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.335 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.5 mtt -61.77 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.307 0.575 . . . . 0.0 110.575 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.93 95.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.3 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' C' ' 48' ' ' LEU . 92.3 mt -65.09 -40.46 94.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.731 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -60.78 -41.91 96.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.331 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.13 -40.04 93.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.024 0.44 . . . . 0.0 110.031 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.447 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.58 -45.67 78.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.411 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.542 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 60.1 t-80 -61.32 -38.63 87.57 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.364 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.62 -43.37 97.55 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.323 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . 0.572 ' HB ' HD21 ' C' ' 11' ' ' LEU . 74.4 t -65.81 -43.42 93.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.024 0.44 . . . . 0.0 109.932 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.474 ' OE1' HD13 ' C' ' 11' ' ' LEU . 45.4 tp60 -60.28 -44.01 95.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.253 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.943 HG21 HG22 ' D' ' 356' ' ' THR . 19.8 m -56.93 -42.68 80.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.185 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.7 -39.63 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.542 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.509 HD11 HG11 ' C' ' 7' ' ' VAL . 96.8 mt -69.87 -40.23 75.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.74 -40.49 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.826 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.547 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -81.48 -12.15 58.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.456 -179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.79 -20.01 35.4 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -90.19 112.45 23.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.797 0.332 . . . . 0.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.98 137.72 58.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.472 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' C' ' 67' ' ' LYS . . . -106.87 4.56 36.33 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' C' ' 67' ' ' LYS . 84.7 tt0 -64.3 126.28 27.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.577 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.07 -35.54 0.24 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.557 ' H ' ' C ' ' C' ' 65' ' ' GLU . 30.6 mmtp -94.28 151.55 19.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.656 0.265 . . . . 0.0 110.565 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . 0.456 ' O ' ' C ' ' C' ' 69' ' ' LYS . 4.6 mpp? -46.99 156.79 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.587 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' C' ' 68' ' ' MET . 98.4 mttt -34.02 -91.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.426 HG23 ' N ' ' C' ' 71' ' ' SER . 16.3 m -86.07 -151.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.767 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.439 ' O ' HG23 ' C' ' 75' ' ' VAL . 37.9 p -134.79 174.92 10.05 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.503 -177.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.96 -45.12 93.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.699 -177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.488 HG13 HG21 ' C' ' 8' ' ' VAL . 65.2 t -62.2 -44.71 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 129.996 3.319 . . . . 0.0 110.615 -178.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.11 -39.11 93.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.099 0.476 . . . . 0.0 111.073 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.439 HG23 ' O ' ' C' ' 71' ' ' SER . 56.1 t -60.28 -47.97 90.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.201 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.95 -45.84 86.03 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.292 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.46 99.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.885 0.374 . . . . 0.0 110.399 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -62.97 -39.23 94.07 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.234 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.497 ' O ' HG23 ' C' ' 83' ' ' THR . 39.2 tp -57.77 -46.85 83.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.474 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.624 ' CE1' HE22 ' B' ' 78' ' ' GLN . 77.8 m80 -67.32 -47.32 70.88 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.762 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.67 -45.71 92.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.888 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.6 mmm -61.47 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.385 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.497 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.6 p -63.43 -47.44 81.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.192 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 5.2 t -61.46 -49.65 75.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -58.2 -48.21 81.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.499 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.7 tp -61.78 -44.42 96.92 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.159 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -46.94 83.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.864 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -58.68 -44.5 90.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.191 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . 0.506 ' O ' ' OE2' ' C' ' 93' ' ' GLU . 77.6 mm-40 -59.64 -45.44 91.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.908 0.385 . . . . 0.0 110.194 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.31 -42.35 96.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 109.999 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.653 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 77.2 mt -60.18 -42.16 89.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.417 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 18.2 m -57.52 -45.68 84.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.551 -0.459 . . . . 0.0 109.944 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . 0.506 ' OE2' ' O ' ' C' ' 89' ' ' GLU . 0.7 OUTLIER -63.34 -42.86 98.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.496 179.213 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.568 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 41.6 mt -59.84 -43.92 94.36 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.52 -43.47 96.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.592 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -60.26 -41.68 93.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.723 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' C' ' 97' ' ' LEU . 36.8 mt -62.38 -42.65 99.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.942 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.568 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 60.5 m80 -60.68 -41.4 95.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' C' ' 102' ' ' LYS . 83.5 tt0 -65.1 -38.63 91.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.093 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -64.15 -40.45 96.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.233 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 13.7 mt -63.95 -42.37 97.34 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.314 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.5 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.2 mttt -91.13 141.39 28.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.507 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.389 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.564 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.527 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 121.923 0.868 . . . . 0.0 108.945 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.79 143.03 36.7 Favored 'General case' 0 C--N 1.287 -2.135 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.24 38.4 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.031 -1.043 . . . . 0.0 109.576 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.36 18.92 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.97 -1.082 . . . . 0.0 108.414 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.89 144.33 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.66 136.57 37.0 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 122.138 0.971 . . . . 0.0 110.113 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.41 25.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.95 -4.4 19.14 Favored 'General case' 0 C--N 1.264 -3.146 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.815 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.44 141.79 85.95 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 119.678 -1.889 . . . . 0.0 110.587 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -45.48 -47.68 12.83 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 124.795 3.663 . . . . 0.0 114.131 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -102.15 27.55 6.56 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 116.117 -2.233 . . . . 0.0 108.71 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.08 -145.46 43.99 Favored Glycine 0 N--CA 1.496 2.685 0 C-N-CA 117.67 -2.205 . . . . 0.0 109.645 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.3 tp -88.62 79.45 7.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.899 -1.353 . . . . 0.0 109.56 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.43 ' CE1' ' H ' ' D' ' 317' ' ' ARG . 2.6 p80 -75.76 177.24 7.03 Favored 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 117.876 -1.53 . . . . 0.0 112.136 -178.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 43.1 p -36.36 -68.65 0.13 Allowed 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.536 ' NH2' ' OG ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -57.03 -52.44 74.08 Favored Pre-proline 0 N--CA 1.492 1.665 0 C-N-CA 120.136 -0.626 . . . . 0.0 112.538 -176.743 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.26 -32.18 62.42 Favored 'Trans proline' 0 C--N 1.314 -1.238 0 CA-C-N 119.448 0.839 . . . . 0.0 111.571 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.468 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.03 -38.82 86.61 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 119.426 -0.91 . . . . 0.0 109.47 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.66 72.61 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -64.03 -39.3 93.78 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.964 -1.495 . . . . 0.0 109.48 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.78 -45.3 93.29 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.664 1.221 . . . . 0.0 108.693 -177.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.468 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.2 t -62.61 -42.29 95.41 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.63 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.93 -40.2 95.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.356 -0.84 . . . . 0.0 109.771 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.534 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.78 -39.75 80.03 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.394 -0.816 . . . . 0.0 109.543 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.04 91.8 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.612 -1.305 . . . . 0.0 109.384 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.3 -16.22 43.5 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.59 86.12 Favored Glycine 0 N--CA 1.479 1.528 0 O-C-N 119.88 -1.763 . . . . 0.0 109.262 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.4 143.34 32.83 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.289 -1.713 . . . . 0.0 110.036 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.2 p -75.64 -29.99 59.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.329 -0.857 . . . . 0.0 112.342 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.82 158.54 10.32 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 119.873 -1.767 . . . . 0.0 112.843 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.581 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.28 35.4 Favored 'General case' 0 C--N 1.311 -1.098 0 N-CA-C 102.835 -3.024 . . . . 0.0 102.835 171.301 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.75 136.52 60.56 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 CA-C-O 122.257 1.027 . . . . 0.0 109.3 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.91 143.18 50.99 Favored 'General case' 0 C--N 1.286 -2.161 0 CA-C-O 123.144 1.449 . . . . 0.0 109.983 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.443 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.1 129.88 61.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 173.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.39 119.66 26.69 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.882 -1.136 . . . . 0.0 108.967 -178.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.62 122.58 39.17 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.524 -0.735 . . . . 0.0 109.884 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.69 38.99 24.29 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.976 -1.078 . . . . 0.0 112.763 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.68 11.06 83.46 Favored Glycine 0 N--CA 1.502 3.039 0 O-C-N 119.941 -1.724 . . . . 0.0 112.469 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.9 136.28 54.56 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 105.21 -2.144 . . . . 0.0 105.21 177.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.78 158.51 33.16 Favored 'General case' 0 C--N 1.276 -2.593 0 CA-C-O 123.825 1.774 . . . . 0.0 112.442 -176.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.65 151.41 31.44 Favored 'General case' 0 C--N 1.28 -2.451 0 CA-C-N 112.417 -2.174 . . . . 0.0 108.527 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.56 136.0 48.94 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 173.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.443 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.03 -6.78 47.8 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 120.734 -1.229 . . . . 0.0 110.688 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.49 12.97 31.53 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.686 -1.259 . . . . 0.0 109.375 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 69.5 m -133.06 104.2 6.41 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 122.189 0.995 . . . . 0.0 110.191 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.27 -37.88 73.04 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.934 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . 0.463 ' CE2' ' OE2' ' A' ' 5' ' ' GLU . 57.6 m-85 -58.86 -51.43 70.06 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.571 -1.33 . . . . 0.0 113.054 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.02 -32.46 70.63 Favored 'General case' 0 C--O 1.213 -0.856 0 O-C-N 119.569 -1.957 . . . . 0.0 109.224 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.76 -33.77 75.86 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.96 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.602 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 66.3 tp60 -67.64 -10.44 52.17 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.653 -0.654 . . . . 0.0 109.951 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.6 p -89.75 -7.69 53.92 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 118.071 -1.451 . . . . 0.0 110.937 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.43 159.27 15.32 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.242 -0.911 . . . . 0.0 110.11 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.88 2.97 Favored Glycine 0 N--CA 1.486 2.004 0 N-CA-C 106.901 -2.479 . . . . 0.0 106.901 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.0 mt -119.54 47.29 1.74 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.728 -1.454 . . . . 0.0 107.4 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.851 HG22 HG21 ' C' ' 56' ' ' THR . 5.0 p -81.45 172.61 13.31 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 118.696 -1.202 . . . . 0.0 109.22 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.74 140.94 57.38 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.837 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.21 79.03 Favored Glycine 0 N--CA 1.5 2.958 0 C-N-CA 120.014 -1.089 . . . . 0.0 111.395 177.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.48 135.91 34.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.955 -1.321 . . . . 0.0 110.664 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.5 123.73 48.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.012 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.7 m -112.17 160.06 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 117.419 -1.712 . . . . 0.0 110.65 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.85 128.37 54.85 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.487 -1.383 . . . . 0.0 107.592 175.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.84 121.41 60.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.41 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.34 50.71 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -179.591 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.83 153.38 47.05 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 118.496 -1.282 . . . . 0.0 109.712 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.527 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.76 6.42 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 118.593 -1.243 . . . . 0.0 108.084 178.19 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.31 40.17 Favored Glycine 0 C--N 1.296 -1.673 0 C-N-CA 118.067 -2.016 . . . . 0.0 110.404 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.41 -40.65 83.03 Favored 'General case' 0 C--N 1.276 -2.606 0 CA-C-N 114.392 -0.904 . . . . 0.0 112.146 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -113.95 36.72 3.56 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 115.921 -2.312 . . . . 0.0 108.667 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.52 65.82 Favored 'General case' 0 N--CA 1.521 3.076 0 N-CA-C 116.824 2.157 . . . . 0.0 116.824 -173.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.445 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.65 27.45 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 119.578 -1.951 . . . . 0.0 110.953 -176.546 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.767 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.54 -40.66 97.6 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 178.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.59 77.29 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 117.551 -1.659 . . . . 0.0 109.972 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.85 -42.18 88.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 CA-C-O 122.176 0.989 . . . . 0.0 109.286 -178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.86 -47.91 76.46 Favored 'General case' 0 C--N 1.287 -2.134 0 CA-C-O 122.006 0.908 . . . . 0.0 108.776 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.767 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.74 -38.32 76.8 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.736 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.441 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.3 mt -75.61 -28.69 58.96 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.426 -1.421 . . . . 0.0 110.835 -174.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.39 -39.49 71.72 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.454 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.92 -49.2 63.24 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.534 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.29 -45.19 84.36 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 118.98 -1.088 . . . . 0.0 110.547 177.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.36 85.43 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.968 -1.083 . . . . 0.0 111.54 -177.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.83 61.65 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.041 -1.037 . . . . 0.0 110.213 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.29 45.8 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.511 -0.743 . . . . 0.0 111.333 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.51 12.39 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 124.308 2.004 . . . . 0.0 112.923 178.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.815 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 14.2 pt-20 . . . . . 0 C--N 1.276 -2.594 0 CA-C-N 111.165 -2.743 . . . . 0.0 110.118 -177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.487 ' O ' ' CG2' ' A' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.4 -39.97 85.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.551 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 6' ' ' GLU . 83.6 tt0 -90.1 121.65 32.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.475 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.1 mt -37.15 -32.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.391 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.508 ' H ' ' HG2' ' A' ' 3' ' ' GLU . 81.9 tt0 -63.73 -45.85 88.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.89 0.376 . . . . 0.0 110.273 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.8 mt-10 -65.39 -36.89 85.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.229 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 1' ' ' ALA . 94.7 t -63.47 -42.97 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.43 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 4' ' ' LEU . 94.5 t -60.39 -46.42 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.931 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mtp -59.1 -41.0 87.08 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.54 -41.58 97.83 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.41 HD21 ' HB ' ' A' ' 54' ' ' VAL . 31.8 mt -63.77 -43.27 96.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.235 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.46 -44.77 98.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.786 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.52 -44.17 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.99 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.515 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 51.2 t-20 -61.73 -45.72 92.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.789 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 76.6 p -60.55 -44.29 96.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.977 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.41 -43.35 98.39 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -62.91 -42.01 99.64 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.77 -48.99 79.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.859 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -60.5 -47.21 87.15 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.536 ' OG ' ' NH2' ' D' ' 317' ' ' ARG . 49.9 m -53.67 -44.6 69.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.23 -42.26 99.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.654 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.21 -49.95 75.87 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -60.16 -42.55 95.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.588 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.45 89.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.733 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.57 84.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.727 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.22 -44.77 96.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.451 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.96 -42.38 76.15 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.74 -41.45 95.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.746 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.46 93.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.743 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.81 -28.76 69.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.169 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -80.72 -5.06 56.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.449 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.66 13.61 75.2 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.59 79.88 3.06 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.793 0.33 . . . . 0.0 110.3 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -65.28 -35.39 80.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.7 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -50.48 70.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.085 0.469 . . . . 0.0 110.783 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.71 80.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.43 79.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.599 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.29 -42.92 96.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.595 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.8 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.01 -41.3 95.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.465 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 99.0 mmm -63.44 -39.93 95.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.67 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.84 -44.49 95.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.994 0.426 . . . . 0.0 110.544 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.94 -40.93 97.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.277 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.5 t -61.64 -45.6 93.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.567 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -61.15 -42.25 98.21 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.313 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.2 ttp -60.94 -43.69 98.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.252 0.549 . . . . 0.0 110.627 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.4 99.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.218 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.06 -39.97 90.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.669 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -60.09 -42.58 94.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.238 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -65.05 -40.3 94.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.224 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.515 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.77 -45.06 79.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.479 179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -61.63 -39.01 89.78 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.41 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 53' ' ' LEU . 38.2 mt -60.57 -43.56 97.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.41 ' HB ' HD21 ' A' ' 11' ' ' LEU . 74.4 t -66.1 -43.5 92.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.076 0.465 . . . . 0.0 110.063 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.598 ' OE1' ' N ' ' A' ' 56' ' ' THR . 0.8 OUTLIER -61.42 -43.71 98.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.236 179.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.598 ' N ' ' OE1' ' A' ' 55' ' ' GLN . 19.1 m -59.93 -42.2 93.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.046 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -59.6 -34.44 72.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.489 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.514 HD22 HD22 ' A' ' 4' ' ' LEU . 92.6 mt -70.92 -60.66 2.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.533 HD12 ' NE2' ' A' ' 55' ' ' GLN . 73.8 mt -56.81 -35.72 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.859 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -84.26 -12.61 54.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.524 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.54 -19.37 45.09 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -74.51 141.61 44.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.805 0.336 . . . . 0.0 110.596 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.68 136.99 56.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.5 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.35 -9.83 49.78 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.551 ' C ' ' H ' ' A' ' 67' ' ' LYS . 79.0 mm-40 -85.87 118.95 25.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.848 0.356 . . . . 0.0 110.719 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.25 -33.9 0.32 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.551 ' H ' ' C ' ' A' ' 65' ' ' GLU . 99.3 mttt -98.48 144.46 27.81 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.683 0.278 . . . . 0.0 110.438 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.0 mtt -79.86 150.71 30.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.637 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -83.72 -9.27 58.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.9 p -108.93 128.57 64.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.689 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.59 ' O ' HG23 ' A' ' 75' ' ' VAL . 85.6 p -134.21 167.58 20.43 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -56.93 -44.96 83.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.701 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.584 HG13 HG21 ' A' ' 8' ' ' VAL . 77.4 t -63.98 -48.18 87.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.865 0.364 . . . . 0.0 110.562 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD22 ' CG1' ' A' ' 59' ' ' ILE . 90.0 mt -63.27 -40.77 98.33 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.963 0.411 . . . . 0.0 110.877 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 71' ' ' SER . 53.6 t -59.22 -47.66 89.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.094 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -59.89 -44.38 94.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.822 0.344 . . . . 0.0 110.328 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.67 -45.46 86.61 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.676 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -62.46 -40.57 97.06 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.181 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 83' ' ' THR . 46.8 tp -57.15 -46.82 82.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 -179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -67.49 -46.89 71.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.737 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.62 -45.33 94.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.806 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.98 -43.53 98.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.214 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.0 p -63.06 -47.02 84.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.089 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.2 m -61.64 -48.63 79.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.464 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.98 -48.31 80.38 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.676 0.274 . . . . 0.0 110.519 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.49 -44.79 96.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.0 110.064 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.08 -47.59 82.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.825 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -58.95 -44.78 91.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.082 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.89 -43.79 98.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.042 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.91 -42.53 94.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.127 0.489 . . . . 0.0 109.904 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.612 HD12 ' HB1' ' A' ' 22' ' ' ALA . 76.0 mt -60.47 -41.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.279 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 16.0 m -57.09 -45.75 83.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.026 0.441 . . . . 0.0 109.845 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.75 -43.67 95.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.664 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.521 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 86.5 mt -59.66 -44.04 93.73 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.8 mt -61.61 -43.56 97.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.525 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -61.0 -39.78 91.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.125 0.488 . . . . 0.0 109.772 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 97' ' ' LEU . 35.0 mt -62.33 -41.47 98.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.822 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 61.7 m80 -60.4 -40.01 89.39 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 103' ' ' ALA . 84.4 tt0 -62.54 -39.56 94.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.252 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.04 -39.23 93.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.19 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.5 mt -63.63 -42.35 98.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.387 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -93.71 -3.26 52.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.483 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.605 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.49 ' O ' ' CG2' ' B' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.2 -40.53 86.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.559 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' B' ' 6' ' ' GLU . 83.0 tt0 -89.51 121.98 32.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.441 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.603 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.1 mt -37.48 -32.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.527 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.517 ' H ' ' HG2' ' B' ' 3' ' ' GLU . 80.6 tt0 -63.72 -45.66 88.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 110.297 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.3 mt-10 -65.48 -36.83 85.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.241 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' B' ' 1' ' ' ALA . 93.5 t -63.81 -42.68 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.351 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.603 HG23 ' O ' ' B' ' 4' ' ' LEU . 96.4 t -60.78 -46.2 96.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.881 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.0 mtp -59.04 -41.28 87.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -41.75 97.77 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.435 HD21 ' HB ' ' B' ' 54' ' ' VAL . 32.2 mt -63.38 -43.5 97.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.833 0.349 . . . . 0.0 110.37 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.45 -44.68 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.679 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.54 -44.33 98.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.926 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 51.2 t-20 -61.47 -45.66 93.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.833 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 79.5 p -60.73 -44.22 96.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.129 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.12 98.83 Favored Glycine 0 CA--C 1.522 0.488 0 N-CA-C 110.034 -1.227 . . . . 0.0 110.034 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -63.13 -42.41 99.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.32 -49.08 78.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.924 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -60.55 -46.94 88.33 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.7 m -54.04 -44.28 70.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.39 -42.71 98.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.726 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.626 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.0 -49.96 75.91 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.78 -42.8 94.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.688 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.19 -41.81 89.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.671 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.14 83.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.578 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -60.86 -45.0 96.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.323 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -55.92 -42.06 75.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.8 -41.52 95.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.873 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.35 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.769 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.61 -29.12 69.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.029 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -80.55 -5.1 56.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.44 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.76 13.5 75.17 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.24 79.29 3.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.778 0.323 . . . . 0.0 110.323 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -65.18 -35.57 81.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.605 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -50.82 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.986 0.422 . . . . 0.0 110.782 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.99 81.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.419 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.44 -48.5 79.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.563 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -60.39 -42.7 96.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.561 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.59 92.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.72 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.18 -41.28 94.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.561 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.9 mmm -63.34 -40.43 97.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.595 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.45 -44.73 95.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.498 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.43 -41.51 98.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.31 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 39.1 t -61.17 -46.33 90.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.489 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -60.44 -42.45 96.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.287 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.85 -43.72 97.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.228 0.537 . . . . 0.0 110.607 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.24 99.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.184 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.98 -39.99 90.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.766 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 53.2 t-20 -60.24 -42.38 95.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.334 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -65.27 -40.09 93.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.117 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.528 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.99 -45.04 78.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.461 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.59 -38.82 88.97 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.278 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -60.85 -43.38 98.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.344 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.435 ' HB ' HD21 ' B' ' 11' ' ' LEU . 79.8 t -65.98 -43.56 92.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.038 0.447 . . . . 0.0 110.057 178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.602 ' OE1' ' N ' ' B' ' 56' ' ' THR . 0.8 OUTLIER -61.51 -43.64 98.5 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.248 179.79 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.602 ' N ' ' OE1' ' B' ' 55' ' ' GLN . 19.6 m -60.09 -42.16 94.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.925 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -59.7 -34.23 72.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 0.0 110.523 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.513 HD22 HD22 ' B' ' 4' ' ' LEU . 92.3 mt -71.07 -60.64 2.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.544 HD12 ' NE2' ' B' ' 55' ' ' GLN . 72.5 mt -56.85 -35.76 47.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.817 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -84.12 -12.85 54.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.598 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.15 -20.09 43.76 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -73.98 141.64 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 110.551 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.82 137.37 56.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.371 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.8 -10.26 47.05 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' B' ' 67' ' ' LYS . 78.4 mm-40 -85.43 118.32 24.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 110.592 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.93 -33.89 0.39 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.538 ' H ' ' C ' ' B' ' 65' ' ' GLU . 99.2 mttt -98.47 144.82 27.4 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.647 0.26 . . . . 0.0 110.445 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 67.0 mtt -80.26 150.87 29.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.652 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -83.84 -8.52 59.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.834 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 p -110.32 128.34 66.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.784 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.618 ' O ' HG23 ' B' ' 75' ' ' VAL . 93.5 p -133.86 169.39 17.15 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.557 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.53 -44.85 93.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.552 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.573 HG13 HG21 ' B' ' 8' ' ' VAL . 79.0 t -62.86 -47.13 94.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.629 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.464 HD22 ' CG1' ' B' ' 59' ' ' ILE . 90.8 mt -63.86 -40.42 96.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.951 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.618 HG23 ' O ' ' B' ' 71' ' ' SER . 54.6 t -59.51 -47.36 91.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.275 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -60.48 -44.1 96.27 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.366 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.09 88.11 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.838 0.352 . . . . 0.0 110.408 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.77 -40.31 96.9 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.229 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.5 ' O ' HG23 ' B' ' 83' ' ' THR . 47.1 tp -57.55 -46.51 83.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.373 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 50.2 m170 -67.87 -46.81 70.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.725 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.68 -45.3 94.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.862 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.77 -43.6 98.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.26 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.5 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.8 p -63.06 -46.96 85.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.157 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 66.3 m -61.55 -48.73 79.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.83 -48.33 80.06 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.52 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.7 -44.28 97.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.095 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.75 82.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.918 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -58.69 -44.78 90.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.234 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -61.66 -44.41 97.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.181 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 73.9 mt -64.38 -42.55 96.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.071 0.462 . . . . 0.0 110.014 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.626 HD12 ' HB1' ' B' ' 22' ' ' ALA . 76.9 mt -60.47 -41.88 89.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.255 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.561 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 15.2 m -57.22 -45.85 83.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.085 0.469 . . . . 0.0 109.853 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.34 -44.19 95.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.511 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.517 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 86.5 mt -59.48 -44.03 93.15 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.7 mt -61.59 -43.32 96.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.498 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.26 -40.04 92.58 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.3 mt -62.15 -41.68 98.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.843 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 61.6 m80 -59.92 -40.12 87.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.749 179.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' B' ' 103' ' ' ALA . 84.7 tt0 -62.53 -39.66 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.146 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.17 -39.23 93.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.173 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt -63.44 -42.81 98.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.36 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -93.22 -3.58 53.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.639 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.506 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.489 ' O ' ' CG2' ' C' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.33 -40.12 85.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.61 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' C' ' 6' ' ' GLU . 83.0 tt0 -89.9 121.82 32.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.355 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.592 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.9 mt -37.49 -32.03 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.448 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . 0.506 ' H ' ' HG2' ' C' ' 3' ' ' GLU . 81.3 tt0 -63.66 -45.69 88.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.823 0.344 . . . . 0.0 110.417 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.1 mt-10 -65.3 -37.03 85.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.302 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' C' ' 1' ' ' ALA . 93.8 t -63.39 -42.87 97.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.592 HG23 ' O ' ' C' ' 4' ' ' LEU . 94.8 t -60.6 -46.35 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.953 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -58.84 -41.41 86.87 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.14 -42.12 98.15 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' C' ' 11' ' ' LEU . 32.6 mt -63.23 -43.43 98.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.921 0.391 . . . . 0.0 110.383 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.46 -44.52 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.676 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.58 -44.57 98.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.079 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.517 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 49.5 t-20 -61.27 -45.86 92.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.758 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.0 p -60.38 -44.46 95.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.139 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.12 -43.26 98.97 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.0 -42.18 99.78 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.8 -48.83 79.9 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -60.82 -46.63 89.81 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.4 m -54.3 -44.35 71.89 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.45 -42.01 98.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.71 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.622 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.43 -50.27 74.6 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.71 -42.68 93.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.55 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.68 -41.26 90.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.77 -42.76 84.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.622 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.15 -44.97 96.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.413 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -55.96 -42.09 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.77 -41.76 96.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.902 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.24 92.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.837 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.69 -29.23 69.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.067 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.21 -5.36 55.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.495 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.98 13.68 74.12 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -96.68 80.04 3.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.799 0.333 . . . . 0.0 110.282 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -65.91 -35.13 79.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.543 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.53 70.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.08 0.466 . . . . 0.0 110.732 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.59 83.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.332 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.98 -49.1 77.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.434 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -59.91 -43.13 95.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.597 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.96 92.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.719 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -64.95 -41.38 95.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.581 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 99.0 mmm -63.19 -40.34 97.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.667 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.63 -44.57 95.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.471 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -63.6 -41.41 98.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.346 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 38.2 t -61.26 -46.04 92.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.6 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.82 -42.13 97.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.404 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.7 ttp -61.13 -43.66 98.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.32 0.581 . . . . 0.0 110.492 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.58 99.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.373 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 89.0 mt -65.88 -39.82 91.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.788 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -60.24 -42.48 95.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.326 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.11 -40.47 94.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.013 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.517 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.63 -45.28 79.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.441 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.63 -38.53 87.99 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.31 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.21 -43.31 99.08 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.255 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . 0.43 ' HB ' HD21 ' C' ' 11' ' ' LEU . 73.2 t -65.81 -43.86 93.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.028 0.442 . . . . 0.0 109.997 179.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.6 ' OE1' ' N ' ' C' ' 56' ' ' THR . 0.8 OUTLIER -61.32 -44.09 97.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.301 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.851 HG21 HG22 ' D' ' 356' ' ' THR . 19.3 m -59.6 -42.0 91.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.107 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -60.07 -34.08 72.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.929 0.395 . . . . 0.0 110.468 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.534 HD22 HD22 ' C' ' 4' ' ' LEU . 93.1 mt -70.73 -60.6 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.79 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.538 HD12 ' NE2' ' C' ' 55' ' ' GLN . 71.8 mt -57.16 -35.48 48.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.869 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.602 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 79.1 mm-40 -84.18 -12.89 54.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -90.25 -20.01 43.7 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -73.97 141.49 45.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 0.0 110.518 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.77 137.23 56.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.462 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.37 -10.46 47.91 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . 0.554 ' C ' ' H ' ' C' ' 67' ' ' LYS . 79.1 mm-40 -85.25 118.8 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.559 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.36 -33.54 0.33 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.554 ' H ' ' C ' ' C' ' 65' ' ' GLU . 99.2 mttt -98.71 144.48 27.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.64 0.257 . . . . 0.0 110.531 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 67.1 mtt -80.06 151.11 30.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -84.11 -8.53 59.07 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 4.3 p -109.96 127.63 66.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.738 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.626 ' O ' HG23 ' C' ' 75' ' ' VAL . 91.2 p -132.2 171.91 13.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.501 -178.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.71 -43.78 98.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.712 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.577 HG13 HG21 ' C' ' 8' ' ' VAL . 72.5 t -64.38 -47.05 91.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 130.098 3.359 . . . . 0.0 110.658 -178.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.48 HD22 ' CG1' ' C' ' 59' ' ' ILE . 93.6 mt -66.29 -40.35 89.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.026 178.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.626 HG23 ' O ' ' C' ' 71' ' ' SER . 53.4 t -59.5 -48.11 88.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.17 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.11 -44.48 94.84 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.325 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.52 -45.12 88.6 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.895 0.378 . . . . 0.0 110.436 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.402 ' HG2' HE21 ' C' ' 55' ' ' GLN . 85.1 mt-30 -62.82 -40.52 97.64 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.242 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.492 ' O ' HG23 ' C' ' 83' ' ' THR . 47.7 tp -57.22 -46.71 82.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.543 -179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -67.75 -46.85 70.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.781 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . 0.402 HD21 ' HB1' ' C' ' 51' ' ' ALA . 14.8 mt -61.5 -45.36 94.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.811 -179.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.1 mmm -61.89 -43.09 99.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.371 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.492 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.7 p -63.55 -46.78 84.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.165 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -61.84 -48.42 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.95 -48.6 79.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 120.713 0.292 . . . . 0.0 110.535 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.41 -44.74 96.61 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.191 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.75 -48.02 80.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.954 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -58.46 -45.2 89.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.306 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.21 -44.29 97.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.19 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.4 mt -64.59 -42.91 95.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.183 0.516 . . . . 0.0 109.996 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.622 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.7 mt -60.05 -41.77 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.438 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 14.4 m -57.36 -45.66 84.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.049 0.452 . . . . 0.0 109.978 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.73 -43.81 95.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.508 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.51 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 86.3 mt -59.54 -43.84 93.38 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.2 mt -61.9 -43.07 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.63 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -61.26 -40.14 92.96 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.05 -41.55 98.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.881 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.51 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 62.1 m80 -60.23 -40.32 89.78 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' C' ' 103' ' ' ALA . 84.3 tt0 -62.48 -39.63 94.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.166 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.82 -39.35 94.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.213 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.49 -42.77 98.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.323 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -93.34 -3.85 52.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.429 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.363 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.603 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.527 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.701 0 CA-C-O 121.956 0.884 . . . . 0.0 108.955 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.469 ' N ' ' CG ' ' D' ' 301' ' ' MET . 47.0 t80 -139.78 143.04 36.71 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.05 156.29 38.48 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.908 -1.12 . . . . 0.0 109.517 179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.14 149.21 28.53 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.32 18.97 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.992 -1.067 . . . . 0.0 108.342 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.8 144.37 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.65 136.59 36.96 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 122.137 0.97 . . . . 0.0 110.127 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.99 114.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.83 -4.25 19.48 Favored 'General case' 0 C--N 1.264 -3.121 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.52 141.77 85.73 Favored Pre-proline 0 N--CA 1.499 2.019 0 O-C-N 119.722 -1.861 . . . . 0.0 110.648 178.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.42 -47.68 12.7 Favored 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 124.828 3.685 . . . . 0.0 114.127 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -102.16 27.49 6.63 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 116.085 -2.246 . . . . 0.0 108.821 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.47 -142.71 46.8 Favored Glycine 0 N--CA 1.496 2.685 0 C-N-CA 117.766 -2.159 . . . . 0.0 109.547 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.3 tp -88.23 74.27 8.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.826 -1.396 . . . . 0.0 109.492 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.648 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.8 p80 -67.72 176.6 2.4 Favored 'General case' 0 N--CA 1.495 1.8 0 C-N-CA 117.889 -1.524 . . . . 0.0 112.078 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 37.2 p -39.82 -68.22 0.18 Allowed 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 117.252 2.316 . . . . 0.0 117.252 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 7.2 tmm_? -56.92 -50.65 86.91 Favored Pre-proline 0 N--CA 1.492 1.672 0 C-N-CA 120.196 -0.602 . . . . 0.0 112.552 -177.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.34 -32.23 61.51 Favored 'Trans proline' 0 C--N 1.318 -1.034 0 CA-C-N 119.525 0.866 . . . . 0.0 111.48 -178.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.488 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.0 -38.86 86.78 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.22 -0.925 . . . . 0.0 109.474 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.95 -39.65 72.48 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -64.01 -39.4 94.03 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 117.987 -1.485 . . . . 0.0 109.462 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.63 -45.35 93.25 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 122.609 1.195 . . . . 0.0 108.723 -177.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.488 HG23 ' O ' ' D' ' 319' ' ' ALA . 57.8 t -62.57 -42.29 95.33 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.663 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.49 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 96.9 mttt -63.95 -40.18 95.84 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.273 -0.892 . . . . 0.0 109.761 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.84 -39.69 79.83 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.4 -0.812 . . . . 0.0 109.578 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.9 91.84 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.672 -1.268 . . . . 0.0 109.482 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.39 -16.2 44.14 Favored 'General case' 0 N--CA 1.511 2.586 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.51 86.16 Favored Glycine 0 N--CA 1.478 1.439 0 O-C-N 119.935 -1.728 . . . . 0.0 109.312 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.411 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.45 143.38 32.78 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.22 -1.753 . . . . 0.0 110.01 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.9 p -75.61 -30.08 59.44 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.262 -0.899 . . . . 0.0 112.318 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.79 158.55 10.23 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 119.757 -1.839 . . . . 0.0 112.721 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.583 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.23 35.35 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 102.867 -3.012 . . . . 0.0 102.867 171.2 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.7 136.59 60.35 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.443 0 CA-C-O 122.186 0.994 . . . . 0.0 109.286 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -124.93 143.2 51.0 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-O 123.083 1.42 . . . . 0.0 109.967 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.06 129.94 61.41 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.732 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 173.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.8 m -127.44 119.5 26.26 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 120.907 -1.121 . . . . 0.0 108.946 -178.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 29.2 t -122.51 122.56 39.21 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.576 -0.703 . . . . 0.0 109.904 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.81 38.92 24.5 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.861 -1.149 . . . . 0.0 112.737 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.66 11.01 83.54 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 119.97 -1.706 . . . . 0.0 112.484 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.29 54.55 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.204 -2.147 . . . . 0.0 105.204 177.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.83 158.53 33.2 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.751 1.738 . . . . 0.0 112.446 -176.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.38 31.4 Favored 'General case' 0 C--N 1.278 -2.528 0 CA-C-N 112.495 -2.139 . . . . 0.0 108.565 177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.59 135.9 48.81 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 105.605 -1.998 . . . . 0.0 105.605 173.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.442 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.89 -6.87 48.04 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 120.61 -1.306 . . . . 0.0 110.754 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.45 12.94 31.56 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.642 -1.286 . . . . 0.0 109.41 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.3 t -133.1 104.16 6.38 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 122.2 1.0 . . . . 0.0 110.143 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.433 HD22 ' CE ' ' A' ' 9' ' ' MET . 55.6 tp -57.16 -37.93 72.81 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.025 178.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.87 -51.39 70.21 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.57 -1.331 . . . . 0.0 113.038 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.01 -32.46 70.63 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 119.606 -1.933 . . . . 0.0 109.234 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.86 -33.75 75.92 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.876 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.523 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 6.7 tt0 -67.64 -10.42 51.97 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.641 -0.662 . . . . 0.0 109.994 -177.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 35.1 p -89.8 -7.75 53.67 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 118.082 -1.447 . . . . 0.0 110.939 -178.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . 0.506 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 97.5 mt -93.32 159.27 15.34 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.257 -0.902 . . . . 0.0 110.222 -178.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.63 104.85 2.96 Favored Glycine 0 N--CA 1.486 2.006 0 N-CA-C 106.91 -2.476 . . . . 0.0 106.91 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . 0.433 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.7 mt -119.59 47.29 1.74 Allowed 'General case' 0 C--N 1.309 -1.189 0 O-C-N 120.653 -1.499 . . . . 0.0 107.466 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.966 HG22 HG21 ' C' ' 56' ' ' THR . 4.5 p -81.39 172.51 13.46 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.307 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.65 140.88 57.29 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.335 -0.946 . . . . 0.0 109.941 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.43 -3.1 78.88 Favored Glycine 0 N--CA 1.501 3.001 0 C-N-CA 120.052 -1.071 . . . . 0.0 111.349 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.3 m -84.48 135.99 34.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.959 -1.318 . . . . 0.0 110.543 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.1 t -96.55 123.69 48.95 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.491 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.13 160.15 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.278 0 C-N-CA 117.379 -1.728 . . . . 0.0 110.661 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.9 m -108.93 128.36 54.87 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 120.5 -1.375 . . . . 0.0 107.55 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.78 121.39 60.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 176.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.62 147.25 50.71 Favored 'General case' 0 C--N 1.285 -2.206 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 -179.57 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.74 153.39 47.17 Favored 'General case' 0 C--N 1.293 -1.851 0 C-N-CA 118.501 -1.28 . . . . 0.0 109.741 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.527 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.75 6.41 Favored 'General case' 0 C--N 1.287 -2.127 0 C-N-CA 118.54 -1.264 . . . . 0.0 108.075 178.179 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.24 40.14 Favored Glycine 0 C--N 1.295 -1.695 0 C-N-CA 117.995 -2.05 . . . . 0.0 110.382 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.46 -40.56 82.98 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-N 114.405 -0.898 . . . . 0.0 112.175 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.08 36.86 3.52 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 115.847 -2.341 . . . . 0.0 108.561 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.44 -33.48 65.91 Favored 'General case' 0 N--CA 1.522 3.137 0 N-CA-C 116.872 2.175 . . . . 0.0 116.872 -174.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.439 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.64 27.44 Favored 'General case' 0 N--CA 1.509 2.48 0 O-C-N 119.615 -1.928 . . . . 0.0 110.979 -176.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.76 ' NZ ' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.77 97.91 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 178.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.49 77.67 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 117.469 -1.692 . . . . 0.0 109.992 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.78 -42.34 89.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 122.202 1.001 . . . . 0.0 109.255 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.85 -47.91 76.44 Favored 'General case' 0 C--N 1.286 -2.177 0 CA-C-O 122.008 0.909 . . . . 0.0 108.704 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.76 ' CE1' ' NZ ' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.87 -38.3 76.36 Favored 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.661 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.1 mt -75.61 -28.63 58.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.418 -1.426 . . . . 0.0 110.87 -174.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.41 -39.51 71.53 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.451 0 N-CA-C 106.398 -1.705 . . . . 0.0 106.398 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.24 63.11 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.29 -45.22 84.32 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.006 -1.078 . . . . 0.0 110.499 177.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.491 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.33 -37.39 85.42 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.882 -1.136 . . . . 0.0 111.541 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.8 61.64 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.181 -0.95 . . . . 0.0 110.276 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.91 -32.33 45.63 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.482 -0.762 . . . . 0.0 111.281 -179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.96 125.42 11.97 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-O 124.256 1.979 . . . . 0.0 112.937 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.204 -2.725 . . . . 0.0 110.073 -177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.89 -37.45 82.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.479 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 6' ' ' GLU . 57.0 mp0 -59.73 -78.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.507 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.689 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.9 mt -38.6 -36.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.4 -179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -64.54 -48.09 76.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.893 0.378 . . . . 0.0 110.275 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 3' ' ' GLU . 84.6 tt0 -67.78 -35.66 79.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.295 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.51 -42.42 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.395 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 4' ' ' LEU . 78.8 t -60.65 -44.68 97.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.246 -0.433 . . . . 0.0 109.94 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.433 ' CE ' HD22 ' D' ' 347' ' ' LEU . 93.7 mtp -59.95 -41.4 91.78 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.53 97.43 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 11' ' ' LEU . 85.5 mt -63.41 -42.62 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.2 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.7 mt -62.75 -44.23 99.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.733 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.552 HD11 ' HB1' ' D' ' 320' ' ' ALA . 84.5 mt -62.67 -44.04 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.008 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.29 -45.25 95.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.767 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.4 t -60.26 -44.65 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.996 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.97 -41.21 98.72 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.493 ' O ' ' OG ' ' A' ' 20' ' ' SER . 91.5 mm-40 -62.75 -42.63 99.77 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -59.9 -47.35 86.13 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.877 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.442 HH21 ' N ' ' A' ' 84' ' ' SER . 41.9 ttm180 -61.03 -46.17 91.83 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.0 p -56.61 -42.56 78.98 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.34 -41.69 98.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.695 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.43 -47.04 82.82 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -58.83 -41.92 88.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.575 178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.87 87.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.779 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.8 91.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.723 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.514 HD11 ' CE1' ' A' ' 98' ' ' HIS . 56.0 tp -61.27 -44.72 96.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.464 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.691 ' NZ ' ' NE2' ' A' ' 31' ' ' GLN . 66.0 tttm -55.41 -43.19 75.06 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -62.7 -41.96 99.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.778 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.05 94.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.713 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.67 -27.92 69.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.125 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.691 ' NE2' ' NZ ' ' A' ' 27' ' ' LYS . 86.9 mt-30 -80.21 -3.94 51.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.473 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.3 13.58 70.68 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -97.39 79.46 2.78 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.766 0.317 . . . . 0.0 110.242 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -65.03 -35.33 80.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.618 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.86 77.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.45 . . . . 0.0 110.748 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.23 -35.22 80.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.392 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.31 78.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.639 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.33 -44.29 95.63 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.638 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.57 98.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.47 -42.22 92.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.512 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.642 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.5 mtm -64.04 -41.52 97.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.547 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -61.43 -47.27 86.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 0.0 110.559 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.04 -41.93 97.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.247 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.2 m -60.78 -46.71 89.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.531 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -60.96 -42.73 98.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.319 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.58 -42.65 99.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.224 0.535 . . . . 0.0 110.646 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.21 -41.84 96.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.204 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.435 HD21 ' CB ' ' A' ' 18' ' ' ALA . 90.3 mt -65.65 -40.38 92.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.667 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.401 HD22 ' HA ' ' A' ' 49' ' ' ASN . 7.8 m120 -61.35 -41.79 97.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.283 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -65.52 -40.05 92.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.215 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.62 -44.1 78.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.486 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.63 -38.59 91.7 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.423 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.64 -43.94 97.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.327 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.39 -43.92 94.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.053 0.454 . . . . 0.0 109.968 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.47 ' CG ' HE21 ' A' ' 78' ' ' GLN . 67.8 tp60 -61.28 -41.84 97.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.243 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.1 m -58.77 -42.84 89.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.04 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.42 -36.64 84.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.509 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.72 -25.39 65.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.652 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.567 HD11 ' NE2' ' A' ' 78' ' ' GLN . 96.8 mt -92.14 -32.43 5.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -88.22 -7.34 56.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.531 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.33 157.26 19.22 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -66.29 142.56 57.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.608 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.38 142.67 58.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.473 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.26 -146.48 6.12 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -88.74 107.91 19.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.657 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.88 -32.75 4.19 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -99.92 128.97 45.96 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.74 0.305 . . . . 0.0 110.415 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.16 -119.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.593 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -88.62 -74.74 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.895 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 t -94.17 113.83 29.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.658 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 75' ' ' VAL . 82.8 p -132.26 165.08 24.98 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.9 mt -58.32 -42.25 86.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.65 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.649 HG13 HG21 ' A' ' 8' ' ' VAL . 50.9 t -63.56 -47.61 90.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.882 0.372 . . . . 0.0 110.603 -179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.436 HD22 ' CG1' ' A' ' 59' ' ' ILE . 93.1 mt -64.33 -41.14 96.94 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.019 0.437 . . . . 0.0 110.827 -178.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 71' ' ' SER . 61.2 t -59.81 -47.64 90.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.145 -179.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -58.68 -44.39 90.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.839 0.352 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.84 -42.01 95.26 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.665 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.567 ' NE2' HD11 ' A' ' 59' ' ' ILE . 89.5 mm-40 -62.94 -42.0 99.67 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.221 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.545 ' O ' HG23 ' A' ' 83' ' ' THR . 50.1 tp -58.32 -46.77 85.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.417 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -67.78 -48.77 65.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.679 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.47 -45.61 93.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.794 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -62.13 -44.01 97.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.147 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.1 p -63.76 -46.3 85.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.077 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.442 ' N ' HH21 ' A' ' 19' ' ' ARG . 46.7 t -62.61 -49.26 75.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.373 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.2 ttm -58.22 -47.46 83.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.483 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.8 -45.26 94.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.922 0.391 . . . . 0.0 110.091 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.56 84.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.837 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.1 -45.41 87.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.145 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.9 mt-10 -62.18 -42.67 99.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.123 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.22 -42.94 96.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.268 0.556 . . . . 0.0 109.911 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.429 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.0 mt -60.41 -41.57 87.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.328 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.5 m -57.15 -46.07 83.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.036 0.446 . . . . 0.0 109.931 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -62.54 -42.8 99.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.529 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.4 mt -58.81 -42.89 90.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.362 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.642 HD12 ' SD ' ' A' ' 41' ' ' MET . 91.0 mt -61.73 -42.45 94.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.551 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -61.64 -39.1 90.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.701 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.53 HD11 ' CD2' ' B' ' 94' ' ' LEU . 85.5 mt -61.99 -41.17 97.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.865 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.514 ' CE1' HD11 ' A' ' 26' ' ' LEU . 46.6 m170 -60.08 -38.72 83.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -62.35 -38.98 91.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.179 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.51 -38.22 90.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.186 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.25 135.46 50.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.421 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt 55.41 14.78 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.57 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.838 -1.077 . . . . 0.0 110.572 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.06 -37.4 82.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' B' ' 6' ' ' GLU . 57.4 mp0 -59.61 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.43 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.676 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.0 mt -38.85 -35.95 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.497 -179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -64.42 -48.35 75.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.353 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' B' ' 3' ' ' GLU . 83.7 tt0 -67.3 -36.14 80.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.225 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.31 -42.28 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.011 0.434 . . . . 0.0 110.375 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.676 HG23 ' O ' ' B' ' 4' ' ' LEU . 78.5 t -60.77 -44.78 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.929 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.5 mtp -59.85 -41.27 91.09 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.79 -42.53 97.04 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.21 -1.156 . . . . 0.0 110.21 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -63.2 -42.47 99.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.801 0.334 . . . . 0.0 110.377 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.2 mt -63.11 -43.85 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.642 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.96 -44.11 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.941 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.21 -45.28 95.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.857 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 11.4 t -60.07 -45.03 94.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.04 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.72 -41.43 98.96 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.488 ' O ' ' OG ' ' B' ' 20' ' ' SER . 91.6 mm-40 -62.44 -42.73 99.67 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.439 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -59.69 -47.62 84.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.943 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.457 HH21 ' N ' ' B' ' 84' ' ' SER . 41.9 ttm180 -60.89 -45.73 93.43 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.3 p -57.0 -42.62 80.6 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 76.7 mt -62.27 -41.49 98.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.71 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.431 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.82 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.462 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.0 m-85 -58.87 -41.87 88.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.618 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.34 88.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.699 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.73 -44.98 90.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.621 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.515 HD11 ' CE1' ' B' ' 98' ' ' HIS . 56.6 tp -61.17 -44.67 96.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.308 179.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.67 ' NZ ' ' NE2' ' B' ' 31' ' ' GLN . 66.1 tttm -55.75 -42.91 76.11 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.84 -41.76 99.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.863 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.39 94.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.725 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -61.2 -28.57 69.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.097 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.67 ' NE2' ' NZ ' ' B' ' 27' ' ' LYS . 86.9 mt-30 -79.72 -4.05 50.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.421 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.42 13.27 71.06 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.06 79.33 2.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.735 0.302 . . . . 0.0 110.321 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -65.16 -35.13 80.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.623 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.21 -49.3 76.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.051 0.453 . . . . 0.0 110.766 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.93 79.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.426 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.12 78.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.52 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.61 -44.4 96.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.492 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.69 98.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.658 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.3 mmm -65.6 -42.21 91.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.457 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.649 ' SD ' HD12 ' B' ' 95' ' ' ILE . 72.8 mtm -63.78 -41.62 97.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.545 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -61.49 -47.68 84.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.469 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.61 -41.74 98.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.297 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m -60.87 -46.98 88.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.471 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -60.82 -42.61 98.03 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.283 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.62 -42.76 99.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.264 0.554 . . . . 0.0 110.651 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.94 -42.35 97.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.136 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.439 HD21 ' CB ' ' B' ' 18' ' ' ALA . 89.7 mt -65.37 -40.44 93.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.72 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.24 -41.95 97.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.366 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.28 -40.26 93.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.222 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.43 -44.37 78.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.482 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -63.4 -38.65 91.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.277 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 53' ' ' LEU . 37.6 mt -61.67 -44.2 97.41 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.334 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.13 -43.74 95.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.016 0.436 . . . . 0.0 110.007 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.475 ' CG ' HE21 ' B' ' 78' ' ' GLN . 67.3 tp60 -61.56 -41.55 97.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.238 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 96.1 m -58.97 -43.08 91.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.963 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.08 -37.18 86.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.843 0.354 . . . . 0.0 110.496 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.2 -25.52 66.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.565 HD11 ' NE2' ' B' ' 78' ' ' GLN . 96.9 mt -92.17 -32.69 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.768 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -88.06 -7.41 57.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.567 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.7 156.74 16.72 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -65.85 142.69 57.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.331 . . . . 0.0 110.612 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.69 142.39 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.349 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.11 -146.81 6.21 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -88.39 108.2 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.84 -32.58 4.24 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -100.08 129.78 46.16 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.586 0.231 . . . . 0.0 110.527 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.84 -119.49 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.675 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -88.78 -74.28 0.47 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 t -95.68 113.44 30.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.77 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.549 ' O ' HG23 ' B' ' 75' ' ' VAL . 94.5 p -131.62 166.94 20.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.532 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 87.4 mt -60.84 -41.85 96.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.483 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.636 HG13 HG21 ' B' ' 8' ' ' VAL . 49.4 t -62.74 -46.9 95.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.606 -177.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.443 HD22 ' CG1' ' B' ' 59' ' ' ILE . 97.1 mt -64.68 -40.86 96.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.99 -179.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.549 HG23 ' O ' ' B' ' 71' ' ' SER . 58.1 t -59.77 -47.8 89.96 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.294 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -58.84 -44.53 90.96 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.306 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.403 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -64.53 -42.24 95.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.88 0.372 . . . . 0.0 110.427 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.565 ' NE2' HD11 ' B' ' 59' ' ' ILE . 88.8 mm-40 -62.75 -41.93 99.43 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.25 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.541 ' O ' HG23 ' B' ' 83' ' ' THR . 49.2 tp -58.53 -46.5 86.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.378 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -67.82 -48.99 64.67 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.729 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.14 -45.68 93.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.05 -44.18 97.23 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.257 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.541 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.8 p -63.52 -46.47 85.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.104 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.457 ' N ' HH21 ' B' ' 19' ' ' ARG . 46.8 t -62.32 -49.49 75.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.581 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 34.1 ttm -57.9 -47.41 82.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.471 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.11 -44.79 95.88 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.159 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.79 -47.4 85.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.843 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.16 -45.51 87.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.267 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.489 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 97.2 mt-10 -61.67 -43.18 99.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.172 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 70.3 mt -64.05 -42.86 96.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.16 0.505 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.431 HD12 ' HB1' ' B' ' 22' ' ' ALA . 79.1 mt -60.35 -41.53 87.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.183 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 79.8 m -57.18 -46.09 83.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.13 0.49 . . . . 0.0 109.871 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.65 -42.72 99.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.44 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.53 ' CD2' HD11 ' A' ' 97' ' ' LEU . 37.2 mt -58.84 -43.11 90.62 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.649 HD12 ' SD ' ' B' ' 41' ' ' MET . 90.6 mt -61.57 -42.77 95.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.511 179.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -60.86 -39.69 90.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' C' ' 94' ' ' LEU . 84.5 mt -61.92 -41.3 97.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.824 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.515 ' CE1' HD11 ' B' ' 26' ' ' LEU . 47.0 m170 -59.73 -39.06 83.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.74 179.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -61.85 -39.37 91.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.14 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.38 -38.15 90.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.204 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 85.7 mt -69.39 135.17 49.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.342 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt 55.73 14.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.51 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.927 -1.035 . . . . 0.0 110.593 179.854 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.79 -37.43 81.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.619 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' C' ' 6' ' ' GLU . 57.2 mp0 -59.34 -78.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.369 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.682 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.8 mt -38.92 -36.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.393 -179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -64.24 -48.47 75.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.828 0.346 . . . . 0.0 110.411 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.1 tt0 -67.21 -36.28 81.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.301 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 77.6 t -64.1 -42.35 95.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.682 HG23 ' O ' ' C' ' 4' ' ' LEU . 78.0 t -60.76 -44.89 98.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.976 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.5 mtp -59.83 -40.99 90.34 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.35 96.79 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -63.29 -42.64 99.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.414 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.7 mt -62.85 -43.89 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.761 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.86 -44.1 99.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.047 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.19 -45.78 93.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.778 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -59.7 -44.69 93.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.162 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.65 -41.99 98.88 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.505 ' O ' ' OG ' ' C' ' 20' ' ' SER . 91.4 mm-40 -62.33 -42.58 99.49 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.441 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -59.61 -47.66 84.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.451 HH21 ' N ' ' C' ' 84' ' ' SER . 41.7 ttm180 -60.95 -45.55 94.27 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 78.3 p -57.37 -42.47 82.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.11 -41.59 98.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.721 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.425 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.89 -46.63 84.62 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 21.9 m-85 -59.3 -41.82 89.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.501 178.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.32 88.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.723 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.69 -44.86 90.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.609 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.516 HD11 ' CE1' ' C' ' 98' ' ' HIS . 56.7 tp -61.4 -44.8 96.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.419 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . 0.693 ' NZ ' ' NE2' ' C' ' 31' ' ' GLN . 65.9 tttm -55.33 -43.03 74.58 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -62.77 -41.73 99.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.926 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.91 95.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.778 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -61.81 -28.16 69.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.083 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.693 ' NE2' ' NZ ' ' C' ' 27' ' ' LYS . 86.9 mt-30 -79.88 -4.24 51.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.407 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.65 13.25 70.46 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.25 79.27 2.8 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -65.04 -35.4 81.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.578 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -49.27 76.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.076 0.465 . . . . 0.0 110.672 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.11 80.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.382 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.59 -48.36 77.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.49 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.11 -44.57 94.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.607 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.81 98.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.46 -42.53 92.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.051 0.453 . . . . 0.0 110.57 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.649 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.1 mtm -63.56 -41.64 98.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.59 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -61.51 -47.62 84.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.387 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -63.64 -41.69 98.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.346 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -61.05 -46.75 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.505 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.86 -42.68 98.33 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.357 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.49 -43.01 99.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.332 0.587 . . . . 0.0 110.564 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.45 97.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.328 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.441 HD21 ' CB ' ' C' ' 18' ' ' ALA . 90.3 mt -65.22 -40.51 94.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.725 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.46 -41.59 97.47 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.343 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.54 -40.14 92.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.031 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.45 78.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.454 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -63.47 -38.34 90.76 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.357 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.23 -43.77 98.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.251 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 62.6 t -65.34 -43.77 94.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.979 0.419 . . . . 0.0 109.961 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.476 ' CG ' HE21 ' C' ' 78' ' ' GLN . 67.7 tp60 -61.52 -41.96 98.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.265 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.966 HG21 HG22 ' D' ' 356' ' ' THR . 97.8 m -58.71 -42.76 89.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.1 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -63.19 -37.39 87.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.942 0.401 . . . . 0.0 110.5 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 94.5 mt -66.85 -25.51 66.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.786 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.55 HD11 ' NE2' ' C' ' 78' ' ' GLN . 96.8 mt -92.28 -32.57 5.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.812 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.523 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 73.0 mm-40 -88.18 -7.23 57.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.451 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.79 156.93 16.76 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -66.11 142.43 57.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.524 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.42 142.68 58.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.544 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.52 -146.61 6.11 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -88.51 108.25 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.54 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.53 -32.06 4.33 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -100.36 129.79 46.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.574 0.226 . . . . 0.0 110.6 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.09 -119.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.554 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.404 ' HD3' ' NE2' ' D' ' 351' ' ' GLN . 68.7 mttm -88.92 -74.21 0.48 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 11.4 t -95.5 112.78 28.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.752 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.561 ' O ' HG23 ' C' ' 75' ' ' VAL . 97.3 p -130.29 169.28 15.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.476 -178.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.62 -41.6 99.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.646 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.611 HG13 HG21 ' C' ' 8' ' ' VAL . 49.2 t -63.3 -47.53 91.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 130.109 3.364 . . . . 0.0 110.652 -178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.434 HD22 ' CG1' ' C' ' 59' ' ' ILE . 98.9 mt -66.65 -40.52 88.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 178.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.561 HG23 ' O ' ' C' ' 71' ' ' SER . 63.0 t -60.15 -48.25 88.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.266 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -58.79 -44.26 90.69 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.325 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.421 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -65.09 -41.68 94.78 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.875 0.369 . . . . 0.0 110.44 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.55 ' NE2' HD11 ' C' ' 59' ' ' ILE . 88.6 mm-40 -63.26 -41.67 99.06 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.202 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.545 ' O ' HG23 ' C' ' 83' ' ' THR . 48.7 tp -58.75 -46.49 87.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.52 -179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -67.85 -48.79 65.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.668 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.51 -45.32 94.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.785 -178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.23 -44.16 97.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.348 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.545 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.2 p -63.82 -46.27 85.86 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.14 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . 0.451 ' N ' HH21 ' C' ' 19' ' ' ARG . 44.7 t -62.43 -49.12 76.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.631 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 34.1 ttm -58.3 -47.41 83.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.506 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.06 -45.09 95.09 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.136 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.36 85.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.954 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -58.25 -45.31 88.03 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.29 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.7 -43.34 99.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.192 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 71.4 mt -63.9 -42.98 97.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.162 0.506 . . . . 0.0 110.04 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.425 HD12 ' HB1' ' C' ' 22' ' ' ALA . 78.7 mt -60.31 -41.45 87.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.353 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 77.4 m -57.49 -45.68 84.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.03 0.443 . . . . 0.0 109.972 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.93 -42.42 99.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.484 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.533 ' CD2' HD11 ' B' ' 97' ' ' LEU . 36.8 mt -59.1 -42.91 91.63 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . 0.649 HD12 ' SD ' ' C' ' 41' ' ' MET . 90.2 mt -61.72 -42.55 94.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.545 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -61.14 -39.37 89.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.781 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 97' ' ' LEU . 86.3 mt -61.99 -41.35 97.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.91 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.516 ' CE1' HD11 ' C' ' 26' ' ' LEU . 47.3 m170 -59.76 -39.0 83.39 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.95 -39.26 91.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.089 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.37 -38.24 90.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.204 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.53 135.11 49.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.376 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 55.61 15.13 1.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.504 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.4 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.497 179.795 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 121.869 0.842 . . . . 0.0 109.005 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.8 143.0 36.65 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.483 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.36 38.7 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.0 -1.062 . . . . 0.0 109.507 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.15 28.46 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.93 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.993 -1.067 . . . . 0.0 108.389 178.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.84 144.31 19.27 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.64 136.64 36.89 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 122.134 0.968 . . . . 0.0 110.135 177.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -85.01 114.32 25.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.3 p -106.91 -4.22 19.38 Favored 'General case' 0 C--N 1.265 -3.083 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.805 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.6 141.82 85.57 Favored Pre-proline 0 N--CA 1.5 2.06 0 O-C-N 119.674 -1.892 . . . . 0.0 110.579 178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.58 -47.55 13.22 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 124.739 3.626 . . . . 0.0 114.102 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.49 HD21 ' CE ' ' C' ' 85' ' ' MET . 99.6 m-20 -102.21 27.55 6.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 116.052 -2.259 . . . . 0.0 108.728 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.64 -143.82 48.73 Favored Glycine 0 N--CA 1.496 2.688 0 C-N-CA 117.738 -2.172 . . . . 0.0 109.588 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.2 tp -99.76 80.68 2.37 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.934 -1.333 . . . . 0.0 109.534 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -83.92 174.92 9.96 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 117.789 -1.564 . . . . 0.0 112.186 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 60.5 p -29.86 -68.82 0.07 Allowed 'General case' 0 N--CA 1.505 2.279 0 N-CA-C 117.286 2.328 . . . . 0.0 117.286 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.685 ' NH2' ' NE2' ' A' ' 17' ' ' GLN . 3.3 ttt-85 -48.64 -60.9 3.8 Favored Pre-proline 0 N--CA 1.493 1.69 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.578 -177.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.59 -32.25 58.7 Favored 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.369 2.046 . . . . 0.0 111.481 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.475 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.01 -38.86 86.75 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.241 -0.912 . . . . 0.0 109.457 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.436 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.81 -39.77 72.88 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -63.97 -39.31 93.85 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 117.937 -1.505 . . . . 0.0 109.529 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.78 -45.29 93.37 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-O 122.61 1.195 . . . . 0.0 108.702 -177.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.475 HG23 ' O ' ' D' ' 319' ' ' ALA . 52.9 t -62.62 -42.28 95.4 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.262 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.658 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -63.94 -40.2 95.9 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.264 -0.898 . . . . 0.0 109.761 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.7 80.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.509 -0.744 . . . . 0.0 109.565 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.04 91.93 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.581 -1.324 . . . . 0.0 109.36 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.35 -16.14 43.11 Favored 'General case' 0 N--CA 1.512 2.628 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.91 -10.61 86.08 Favored Glycine 0 N--CA 1.479 1.55 0 O-C-N 119.937 -1.727 . . . . 0.0 109.32 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.404 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.5 143.33 32.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.329 -1.689 . . . . 0.0 109.996 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.8 p -75.53 -30.11 59.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.228 -0.92 . . . . 0.0 112.395 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.74 158.6 10.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 119.843 -1.786 . . . . 0.0 112.779 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.99 130.24 35.32 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 102.836 -3.024 . . . . 0.0 102.836 171.229 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.72 136.6 60.32 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.393 0 CA-C-O 122.252 1.025 . . . . 0.0 109.318 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.92 143.21 50.98 Favored 'General case' 0 C--N 1.285 -2.213 0 CA-C-O 123.107 1.432 . . . . 0.0 109.942 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.13 129.94 61.52 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 173.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.5 m -127.43 119.58 26.46 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 120.928 -1.108 . . . . 0.0 108.923 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.55 122.64 39.36 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 119.946 -0.701 . . . . 0.0 109.864 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 38.92 24.18 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.964 -1.085 . . . . 0.0 112.816 -179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.73 10.94 83.56 Favored Glycine 0 N--CA 1.502 3.057 0 O-C-N 119.939 -1.725 . . . . 0.0 112.503 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.81 136.28 54.53 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 177.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.83 158.53 33.18 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-O 123.771 1.748 . . . . 0.0 112.432 -176.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.7 151.3 31.26 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 112.463 -2.153 . . . . 0.0 108.56 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.5 135.99 49.03 Favored 'General case' 0 C--N 1.294 -1.847 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 173.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.04 -6.75 47.59 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.707 -1.246 . . . . 0.0 110.734 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.49 12.95 31.59 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.634 -1.291 . . . . 0.0 109.354 -177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.4 t -133.04 104.08 6.35 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 122.094 0.95 . . . . 0.0 110.132 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 53.1 tp -57.18 -37.99 72.95 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.989 178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -58.76 -51.37 70.26 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.552 -1.343 . . . . 0.0 113.156 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.1 -32.38 70.4 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 119.592 -1.943 . . . . 0.0 109.211 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.79 -33.82 76.0 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.895 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.562 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 5.6 tp-100 -67.54 -10.54 52.71 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 121.583 -0.698 . . . . 0.0 109.966 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . 0.439 ' C ' ' OE1' ' C' ' 60' ' ' GLU . 35.1 p -89.76 -7.72 53.82 Favored 'General case' 0 N--CA 1.502 2.171 0 C-N-CA 118.098 -1.441 . . . . 0.0 110.947 -178.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . 0.415 ' O ' ' CD ' ' C' ' 60' ' ' GLU . 94.2 mt -93.39 159.25 15.34 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.197 -0.939 . . . . 0.0 110.113 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.66 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.991 0 N-CA-C 106.906 -2.477 . . . . 0.0 106.906 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.7 mt -119.54 47.45 1.71 Allowed 'General case' 0 C--N 1.31 -1.147 0 O-C-N 120.621 -1.517 . . . . 0.0 107.415 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.782 HG22 HG21 ' C' ' 56' ' ' THR . 80.6 p -81.46 172.53 13.4 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 118.811 -1.155 . . . . 0.0 109.175 179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.69 140.93 57.31 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.812 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.18 79.0 Favored Glycine 0 N--CA 1.5 2.955 0 C-N-CA 120.0 -1.095 . . . . 0.0 111.379 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.48 135.85 34.07 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.875 -1.368 . . . . 0.0 110.591 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.46 123.68 48.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 N-CA-C 106.364 -1.717 . . . . 0.0 106.364 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.492 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.12 160.06 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.351 0 C-N-CA 117.438 -1.705 . . . . 0.0 110.637 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.418 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.0 m -108.85 128.38 54.85 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.493 -1.38 . . . . 0.0 107.624 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.79 121.36 60.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.64 147.28 50.72 Favored 'General case' 0 C--N 1.285 -2.224 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -179.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.17 Favored 'General case' 0 C--N 1.293 -1.867 0 C-N-CA 118.576 -1.25 . . . . 0.0 109.769 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.22 110.78 6.41 Favored 'General case' 0 C--N 1.289 -2.064 0 C-N-CA 118.574 -1.251 . . . . 0.0 108.065 178.185 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.22 -170.34 40.15 Favored Glycine 0 C--N 1.296 -1.687 0 C-N-CA 118.031 -2.033 . . . . 0.0 110.374 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.59 82.49 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.357 -0.922 . . . . 0.0 112.26 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.02 36.74 3.56 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 115.899 -2.32 . . . . 0.0 108.57 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.37 -33.55 65.81 Favored 'General case' 0 N--CA 1.522 3.173 0 N-CA-C 116.855 2.168 . . . . 0.0 116.855 -174.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.45 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.89 -45.59 27.56 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 119.578 -1.951 . . . . 0.0 111.003 -176.549 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.853 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.58 -40.7 97.62 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.43 77.87 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 117.441 -1.704 . . . . 0.0 110.035 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.87 -42.29 88.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 CA-C-O 122.162 0.982 . . . . 0.0 109.203 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -55.76 -48.0 76.02 Favored 'General case' 0 C--N 1.285 -2.204 0 CA-C-O 122.091 0.948 . . . . 0.0 108.74 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.853 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.78 -38.32 76.67 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.733 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.6 -28.6 58.94 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.421 -1.425 . . . . 0.0 110.897 -174.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.57 71.03 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.44 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.17 63.55 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.32 -45.17 84.5 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 118.998 -1.081 . . . . 0.0 110.53 177.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.492 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.38 -37.42 85.66 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.864 -1.147 . . . . 0.0 111.506 -177.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.83 -31.81 61.77 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.144 -0.973 . . . . 0.0 110.282 -179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -78.92 -32.26 45.59 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.472 -0.767 . . . . 0.0 111.315 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.14 125.52 12.5 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 124.392 2.044 . . . . 0.0 112.803 178.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.805 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.5 tt0 . . . . . 0 C--N 1.277 -2.548 0 CA-C-N 111.131 -2.758 . . . . 0.0 110.114 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -56.43 -174.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.502 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 6' ' ' GLU . 80.0 mm-40 -61.85 -79.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.544 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.1 mt -38.63 -34.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.38 -179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -64.24 -47.66 78.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.212 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 3' ' ' GLU . 96.8 mt-10 -67.94 -35.38 78.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.267 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.43 -42.98 98.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.392 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.647 HG21 HG13 ' A' ' 73' ' ' VAL . 79.5 t -60.94 -44.1 97.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.911 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.1 mtp -59.29 -41.44 88.98 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.39 -42.02 96.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.274 -1.13 . . . . 0.0 110.274 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.9 -42.9 99.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.236 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.07 -43.85 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.783 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.436 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.4 mt -64.03 -44.23 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.008 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -60.86 -47.1 87.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.816 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.2 m -59.5 -43.63 93.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.989 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' HA3' ' HE ' ' D' ' 317' ' ' ARG . . . -63.61 -42.1 98.9 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.685 ' NE2' ' NH2' ' D' ' 317' ' ' ARG . 91.7 mm-40 -62.95 -44.88 94.83 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.33 77.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.865 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.35 -45.58 92.98 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.592 ' OG ' ' NH1' ' D' ' 317' ' ' ARG . 67.0 m -55.71 -44.38 77.37 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.54 -41.48 97.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.675 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.474 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -58.41 -48.28 81.2 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -58.82 -42.13 88.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.638 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HB3' ' CE ' ' A' ' 40' ' ' MET . . . -59.61 -39.94 85.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.775 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.39 86.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.702 178.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.23 -44.9 96.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.445 179.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.24 -43.87 74.98 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.44 ' OE1' ' C ' ' A' ' 36' ' ' ALA . 87.2 mt-30 -61.81 -41.56 97.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.771 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.59 91.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.782 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.72 -28.35 69.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.118 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -80.82 -5.09 56.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.478 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.67 14.86 69.44 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -98.04 78.49 2.53 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.745 0.307 . . . . 0.0 110.265 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -65.42 -35.3 80.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.632 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.76 -50.62 70.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.043 0.449 . . . . 0.0 110.737 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.44 ' C ' ' OE1' ' A' ' 28' ' ' GLN . . . -65.11 -35.7 81.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.35 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -47.1 84.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.576 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' O ' ' CG ' ' A' ' 41' ' ' MET . 88.8 tttt -59.58 -42.42 92.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.661 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.63 -37.38 87.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.405 ' CE ' ' HB3' ' A' ' 24' ' ' ALA . 87.5 mmm -64.77 -47.09 79.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.474 -178.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.455 ' O ' ' OG ' ' A' ' 44' ' ' SER . 20.0 ptm -65.02 -37.49 87.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.655 -178.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -61.72 -48.45 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.514 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.38 -39.89 95.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.209 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -62.19 -44.52 96.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.53 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.765 HH21 HH12 ' A' ' 88' ' ' ARG . 41.4 ttm180 -60.3 -42.34 95.3 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -61.45 -42.04 98.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.266 0.555 . . . . 0.0 110.598 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.59 99.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.213 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.7 mt -65.23 -40.25 93.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.644 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -61.26 -41.34 96.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.223 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.54 -39.68 92.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.223 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.32 -43.25 82.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.467 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.13 -37.98 89.38 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.397 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.37 -43.84 98.18 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.331 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.3 t -65.54 -43.47 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.101 0.477 . . . . 0.0 110.077 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.427 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 66.5 tp60 -59.83 -42.41 93.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 85.9 m -58.24 -42.13 85.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.988 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.04 -40.22 97.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.962 0.41 . . . . 0.0 110.49 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.467 HD22 HD22 ' A' ' 4' ' ' LEU . 98.6 mt -62.41 -28.5 69.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.721 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.47 HD11 HE21 ' A' ' 78' ' ' GLN . 83.8 mt -84.7 -30.4 6.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.803 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -77.87 -16.13 58.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.538 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.34 -40.0 2.9 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -64.83 -42.25 95.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.61 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 97.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.449 ' H ' ' HB3' ' A' ' 67' ' ' LYS . . . -92.8 -176.54 41.19 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 57.5 mp0 -68.68 113.17 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.348 . . . . 0.0 110.736 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.57 2.57 88.13 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' HB3' ' H ' ' A' ' 64' ' ' GLY . 88.5 tttt -97.7 142.75 29.11 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.702 0.287 . . . . 0.0 110.454 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.8 mtt -65.5 140.11 58.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.631 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -85.99 -8.87 57.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.73 117.38 44.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.733 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.586 ' O ' HG23 ' A' ' 75' ' ' VAL . 83.2 p -129.33 162.21 28.49 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 178.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.5 mt -57.39 -45.31 84.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.528 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.647 HG13 HG21 ' A' ' 8' ' ' VAL . 54.2 t -64.08 -47.38 90.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.872 0.367 . . . . 0.0 110.53 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.402 HD22 HG12 ' A' ' 59' ' ' ILE . 90.0 mt -63.36 -41.51 98.83 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 71' ' ' SER . 56.4 t -59.71 -47.09 92.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.188 -179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.54 -45.4 91.9 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.331 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.427 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.16 -44.01 93.4 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.695 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.514 ' O ' ' SD ' ' A' ' 82' ' ' MET . 86.3 mt-30 -63.15 -40.03 96.39 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.17 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.509 ' O ' HG23 ' A' ' 83' ' ' THR . 44.5 tp -58.36 -46.79 85.61 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.369 -178.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -68.11 -47.32 68.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.3 -46.07 91.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.77 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.657 ' N ' ' SD ' ' A' ' 82' ' ' MET . 0.0 OUTLIER -61.7 -43.73 98.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.24 -179.401 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.0 p -63.44 -48.14 78.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.133 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.6 m -61.44 -49.19 77.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.415 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 55.8 ttm -58.47 -47.08 85.22 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.512 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.02 -45.51 93.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.13 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.01 87.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.889 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.765 HH12 HH21 ' A' ' 45' ' ' ARG . 3.5 tmt_? -58.52 -45.36 88.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.143 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.8 mt-10 -62.23 -43.45 98.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.035 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 75.7 mt -64.02 -43.52 95.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.152 0.501 . . . . 0.0 109.879 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.474 HD12 ' HB1' ' A' ' 22' ' ' ALA . 81.8 mt -60.42 -42.34 90.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.1 m -57.21 -45.83 83.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.003 0.43 . . . . 0.0 109.869 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.33 -43.18 98.51 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.433 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 81.7 mt -59.15 -43.07 92.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.38 -42.54 94.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.534 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.499 ' CD ' ' NZ ' ' B' ' 30' ' ' LYS . 84.1 tt0 -61.72 -39.45 91.56 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 97' ' ' LEU . 37.7 mt -62.44 -40.8 97.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.927 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 62.3 m80 -60.27 -39.77 88.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.793 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.46 -39.3 87.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.157 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.76 -36.44 83.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.249 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.1 140.17 48.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.42 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -74.32 140.56 44.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.524 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.542 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -56.15 -174.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.577 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' B' ' 6' ' ' GLU . 80.0 mm-40 -62.19 -79.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.504 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.57 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.9 mt -38.6 -34.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.509 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -63.91 -48.31 77.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.86 0.362 . . . . 0.0 110.369 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' B' ' 3' ' ' GLU . 96.9 mt-10 -67.29 -35.71 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.195 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.33 -43.28 98.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.346 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.628 HG21 HG13 ' B' ' 73' ' ' VAL . 79.5 t -60.62 -44.09 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.87 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.9 mtp -59.39 -41.31 89.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.5 -42.04 95.96 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.169 -1.172 . . . . 0.0 110.169 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.99 -42.66 99.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.823 0.344 . . . . 0.0 110.394 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.17 -44.06 99.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.757 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.8 -44.2 98.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.943 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -61.05 -46.92 88.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.849 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 62.3 m -59.54 -43.62 93.46 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.12 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.77 -42.08 98.68 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -62.9 -44.59 95.68 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.1 78.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.908 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.55 -45.59 93.32 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -55.8 -44.25 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.46 -41.88 97.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.747 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.47 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -58.01 -48.46 79.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.447 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 19.9 m-85 -58.84 -41.84 87.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.708 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.401 ' HB3' ' CE ' ' B' ' 40' ' ' MET . . . -59.94 -39.82 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.765 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.73 87.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.629 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.96 -44.57 96.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.374 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.53 -44.05 76.33 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.449 ' OE1' ' C ' ' B' ' 36' ' ' ALA . 87.0 mt-30 -61.55 -41.21 97.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.889 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.32 93.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.679 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.499 ' NZ ' ' CD ' ' A' ' 96' ' ' GLU . 67.4 mttm -61.9 -28.36 69.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.037 178.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -80.92 -5.3 57.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.334 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.06 14.59 69.0 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.76 78.49 2.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 110.349 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -65.51 -35.09 79.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.596 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.81 -50.28 71.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.978 0.418 . . . . 0.0 110.793 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.449 ' C ' ' OE1' ' B' ' 28' ' ' GLN . . . -65.42 -35.69 81.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.405 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.21 84.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.506 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' B' ' 41' ' ' MET . 88.8 tttt -59.53 -42.85 93.23 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.585 -179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.72 88.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.664 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.401 ' CE ' ' HB3' ' B' ' 24' ' ' ALA . 87.3 mmm -64.51 -46.84 81.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.569 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.45 ' CG ' ' O ' ' B' ' 38' ' ' LYS . 20.0 ptm -65.12 -37.64 88.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.583 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -61.78 -48.54 80.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.513 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.03 -40.14 96.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.295 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 41' ' ' MET . 77.7 p -61.99 -44.71 96.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.505 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.775 HH21 HH12 ' B' ' 88' ' ' ARG . 41.3 ttm180 -60.09 -42.49 94.77 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 59.2 mtt -61.26 -42.24 98.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.283 0.563 . . . . 0.0 110.627 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.63 99.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.145 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.15 -40.2 94.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.728 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.32 -41.38 96.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.396 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -65.33 -39.77 92.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.148 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.42 -43.31 81.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.399 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -62.98 -38.11 89.81 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.309 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 53' ' ' LEU . 40.5 mt -61.34 -43.82 98.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.349 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.54 -43.53 94.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.116 0.484 . . . . 0.0 110.095 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.416 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 66.5 tp60 -59.71 -42.39 92.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.278 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 87.8 m -58.29 -42.13 85.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.989 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.16 -40.06 96.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.447 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.47 HD22 HD22 ' B' ' 4' ' ' LEU . 98.2 mt -62.56 -28.55 69.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.446 HD11 HE21 ' B' ' 78' ' ' GLN . 81.6 mt -84.64 -30.4 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.763 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -77.94 -15.77 58.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.68 -39.88 2.85 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -65.15 -42.08 94.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.814 0.34 . . . . 0.0 110.512 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.56 96.82 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.363 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.454 ' H ' ' HB3' ' B' ' 67' ' ' LYS . . . -92.64 -176.6 41.43 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.428 ' OE1' ' N ' ' B' ' 65' ' ' GLU . 59.2 mp0 -68.65 113.06 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.539 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.74 2.77 88.67 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.454 ' HB3' ' H ' ' B' ' 64' ' ' GLY . 88.6 tttt -97.83 142.86 29.07 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.62 0.248 . . . . 0.0 110.485 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 66.9 mtt -65.59 140.78 58.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.613 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -86.66 -8.44 57.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.789 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.7 t -101.02 117.38 46.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.733 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.62 ' O ' HG23 ' B' ' 75' ' ' VAL . 87.9 p -129.25 164.13 24.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.54 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.59 -45.33 92.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.607 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.628 HG13 HG21 ' B' ' 8' ' ' VAL . 54.7 t -62.99 -46.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.811 0.339 . . . . 0.0 110.674 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.415 HD22 HG12 ' B' ' 59' ' ' ILE . 91.5 mt -63.63 -41.13 98.3 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.117 0.485 . . . . 0.0 111.043 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 71' ' ' SER . 53.7 t -59.8 -47.17 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.294 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.496 ' OE2' ' OE1' ' A' ' 78' ' ' GLN . 38.8 tp10 -59.68 -45.49 91.92 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.266 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.416 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -63.93 -44.37 93.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.936 0.398 . . . . 0.0 110.371 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.506 ' O ' ' SD ' ' B' ' 82' ' ' MET . 85.9 mt-30 -62.88 -40.1 96.49 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.514 ' O ' HG23 ' B' ' 83' ' ' THR . 45.1 tp -58.26 -47.07 84.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.365 -179.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -67.74 -47.69 68.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.784 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.13 -45.81 93.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.881 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . 0.649 ' N ' ' SD ' ' B' ' 82' ' ' MET . 0.0 OUTLIER -61.8 -43.79 98.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.234 -179.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.514 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.4 p -63.56 -47.82 79.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.2 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 68.1 m -61.12 -49.41 77.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.612 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 55.8 ttm -58.37 -47.44 83.81 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.473 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.84 -45.65 92.88 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.084 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.43 -47.4 85.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.891 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.775 HH12 HH21 ' B' ' 45' ' ' ARG . 3.5 tmt_? -58.0 -45.5 86.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.245 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.452 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 96.6 mt-10 -62.0 -43.55 98.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.132 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.98 -43.4 95.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.039 0.447 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.47 HD12 ' HB1' ' B' ' 22' ' ' ALA . 82.0 mt -60.6 -41.79 89.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.186 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.0 m -57.82 -45.63 85.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.036 0.446 . . . . 0.0 109.888 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.4 -43.32 97.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.466 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.462 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 82.2 mt -59.09 -43.13 91.8 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -61.27 -42.86 95.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.505 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.51 ' CD ' ' NZ ' ' C' ' 30' ' ' LYS . 84.6 tt0 -61.38 -39.6 91.24 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 97' ' ' LEU . 36.1 mt -62.35 -40.98 98.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.853 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 61.7 m80 -60.09 -39.64 86.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.826 179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -60.47 -39.42 87.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.128 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.74 -36.19 83.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.209 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.26 140.26 48.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.342 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -74.65 140.43 44.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.542 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.586 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -56.71 -174.37 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.576 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.9 mm-40 -62.03 -79.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.283 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.591 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.1 mt -38.67 -33.98 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.356 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.08 -48.49 75.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.852 0.358 . . . . 0.0 110.374 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.0 mt-10 -67.17 -35.83 80.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.245 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.16 -43.01 98.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.361 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.591 HG23 ' O ' ' C' ' 4' ' ' LEU . 79.3 t -60.91 -44.28 97.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.947 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.6 mtp -59.12 -41.46 88.24 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.48 -42.04 95.99 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.161 -1.176 . . . . 0.0 110.161 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' C' ' 11' ' ' LEU . 83.1 mt -62.71 -42.87 99.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.381 179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.95 -44.1 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.689 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -63.68 -44.37 98.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.001 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -60.92 -47.01 88.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.877 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 64.3 m -59.48 -43.76 93.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.09 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.77 -41.66 98.82 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -63.37 -44.58 94.36 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.33 77.4 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.35 -45.57 93.02 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -55.78 -44.32 77.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.64 -41.36 97.39 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.733 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.478 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -58.52 -48.15 81.78 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.452 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 19.6 m-85 -59.0 -42.25 89.63 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.507 178.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . 0.41 ' HB3' ' CE ' ' C' ' 40' ' ' MET . . . -59.66 -39.88 85.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.665 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -43.97 86.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.567 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.81 -44.6 96.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.44 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.51 -43.5 75.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' C' ' 36' ' ' ALA . 87.1 mt-30 -62.3 -41.25 98.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.838 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.16 -43.21 92.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.806 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . 0.51 ' NZ ' ' CD ' ' B' ' 96' ' ' GLU . 67.4 mttm -62.11 -28.34 69.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.136 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -80.72 -5.29 56.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.448 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.14 14.27 69.53 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.67 78.54 2.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.689 0.28 . . . . 0.0 110.262 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -65.47 -35.37 80.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.544 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -50.08 72.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.025 0.44 . . . . 0.0 110.654 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . 0.444 ' C ' ' OE1' ' C' ' 28' ' ' GLN . . . -65.44 -35.92 82.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.429 179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.87 -47.09 84.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.494 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' C' ' 41' ' ' MET . 88.8 tttt -59.42 -43.16 93.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.61 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.42 87.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.743 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . 0.41 ' CE ' ' HB3' ' C' ' 24' ' ' ALA . 86.4 mmm -64.56 -46.96 80.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.531 -178.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.46 ' O ' ' OG ' ' C' ' 44' ' ' SER . 20.2 ptm -64.95 -38.05 89.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.58 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -61.6 -48.22 81.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.439 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -63.2 -40.29 97.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.331 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' C' ' 41' ' ' MET . 77.4 p -62.02 -44.22 97.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.593 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.78 HH21 HH12 ' C' ' 88' ' ' ARG . 41.3 ttm180 -60.45 -42.41 96.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.419 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 59.5 mtt -61.53 -42.03 98.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.333 0.587 . . . . 0.0 110.52 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.97 99.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.31 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 91.5 mt -64.93 -40.42 95.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.723 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.25 -41.18 96.46 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.307 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -65.62 -39.44 91.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.066 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.81 -42.96 80.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.429 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -63.15 -37.93 89.18 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.356 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 mt -61.76 -43.37 98.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.343 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.88 -43.48 93.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.024 0.44 . . . . 0.0 109.959 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.422 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 66.4 tp60 -59.78 -42.5 93.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.222 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.782 HG21 HG22 ' D' ' 356' ' ' THR . 95.0 m -58.18 -41.99 85.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.13 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.29 -40.1 96.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.49 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.473 HD22 HD22 ' C' ' 4' ' ' LEU . 97.9 mt -62.12 -28.91 69.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.468 HD11 HE21 ' C' ' 78' ' ' GLN . 83.9 mt -84.36 -30.39 7.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.562 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.5 mm-40 -77.88 -16.04 58.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.482 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -101.38 -39.69 2.96 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -65.54 -41.54 92.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.801 0.334 . . . . 0.0 110.525 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.83 96.95 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.496 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . 0.462 ' H ' ' HB3' ' C' ' 67' ' ' LYS . . . -92.86 -176.45 41.11 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' C' ' 65' ' ' GLU . 59.3 mp0 -68.7 113.07 5.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.353 . . . . 0.0 110.579 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.47 2.91 88.45 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.462 ' HB3' ' H ' ' C' ' 64' ' ' GLY . 88.6 tttt -97.7 142.71 29.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.612 0.244 . . . . 0.0 110.527 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 66.8 mtt -65.74 140.99 58.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.565 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.465 ' HD2' HE21 ' D' ' 351' ' ' GLN . 64.5 pttt -86.93 -8.32 57.35 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 17.2 t -100.57 116.85 44.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.727 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.629 ' O ' HG23 ' C' ' 75' ' ' VAL . 88.0 p -127.89 166.52 18.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.519 -179.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' C' ' 72' ' ' LEU . 23.0 mt -61.36 -44.49 97.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.615 -177.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.591 HG13 HG21 ' C' ' 8' ' ' VAL . 56.0 t -64.39 -47.27 90.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 130.08 3.352 . . . . 0.0 110.599 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.411 HD22 HG12 ' C' ' 59' ' ' ILE . 91.5 mt -65.55 -40.93 93.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.986 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.629 HG23 ' O ' ' C' ' 71' ' ' SER . 57.5 t -60.16 -47.56 91.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.215 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.496 ' OE2' ' OE1' ' B' ' 78' ' ' GLN . 39.3 tp10 -59.67 -45.32 92.43 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.323 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.422 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -64.13 -44.69 91.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.889 0.376 . . . . 0.0 110.419 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.503 ' O ' ' SD ' ' C' ' 82' ' ' MET . 86.1 mt-30 -62.53 -40.42 96.72 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.23 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.505 ' O ' HG23 ' C' ' 83' ' ' THR . 44.3 tp -57.94 -47.4 83.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.445 -179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -67.39 -47.71 69.53 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.762 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 20.8 mt -61.09 -46.02 92.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.805 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . 0.656 ' N ' ' SD ' ' C' ' 82' ' ' MET . 0.0 OUTLIER -61.58 -43.86 98.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.404 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.505 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.9 p -63.5 -47.88 79.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.156 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 66.4 m -61.46 -49.36 77.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.552 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . 0.49 ' CE ' HD21 ' D' ' 312' ' ' ASN . 56.2 ttm -58.1 -47.31 83.62 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.547 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.04 -45.67 92.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.146 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.07 -47.6 84.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.88 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.78 HH12 HH21 ' C' ' 45' ' ' ARG . 3.5 tmt_? -58.14 -45.25 87.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.23 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -61.93 -43.76 98.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.176 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.93 -43.32 96.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.168 0.509 . . . . 0.0 109.952 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.478 HD12 ' HB1' ' C' ' 22' ' ' ALA . 82.6 mt -60.65 -41.96 90.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.439 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -57.51 -45.63 84.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.008 0.432 . . . . 0.0 109.937 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.69 -43.02 97.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.514 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.48 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 82.5 mt -59.22 -42.97 92.26 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.5 -42.68 94.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.5 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.49 -39.38 90.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.4 mt -62.37 -41.28 98.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.81 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.48 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 62.2 m80 -59.9 -39.66 86.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.776 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -60.62 -39.41 88.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.045 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.58 -36.51 84.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.217 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 86.7 mt -72.06 140.13 48.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.372 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -74.38 140.55 44.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.416 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.535 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.525 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.716 0 CA-C-O 121.869 0.842 . . . . 0.0 108.956 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.78 143.02 36.7 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.475 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.0 156.34 38.63 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 120.968 -1.082 . . . . 0.0 109.504 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.15 28.47 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.33 18.93 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.06 -1.025 . . . . 0.0 108.394 178.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.37 19.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.76 136.64 37.02 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 122.109 0.957 . . . . 0.0 110.146 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.95 114.3 24.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 105.366 -2.086 . . . . 0.0 105.366 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.2 p -106.79 -4.35 19.42 Favored 'General case' 0 C--N 1.266 -3.054 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.47 141.83 85.92 Favored Pre-proline 0 N--CA 1.5 2.026 0 O-C-N 119.779 -1.825 . . . . 0.0 110.605 178.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -45.51 -47.66 12.93 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 124.746 3.631 . . . . 0.0 114.139 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -102.17 27.51 6.61 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 116.07 -2.252 . . . . 0.0 108.771 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.06 -142.07 48.37 Favored Glycine 0 N--CA 1.497 2.74 0 C-N-CA 117.674 -2.203 . . . . 0.0 109.562 -178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.2 tp -88.44 65.7 8.01 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.931 -1.335 . . . . 0.0 109.522 -177.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.696 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 0.7 OUTLIER -54.77 177.66 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 117.863 -1.535 . . . . 0.0 112.163 -178.255 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.0 OUTLIER -45.23 -66.35 0.41 Allowed 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 117.271 2.323 . . . . 0.0 117.271 -176.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.557 ' N ' ' OG1' ' D' ' 316' ' ' THR . 7.3 tmm_? -56.11 -50.4 87.61 Favored Pre-proline 0 N--CA 1.493 1.678 0 C-N-CA 120.205 -0.598 . . . . 0.0 112.476 -177.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.8 Cg_endo -63.81 -32.26 67.31 Favored 'Trans proline' 0 C--N 1.317 -1.121 0 C-N-CA 120.955 1.104 . . . . 0.0 111.477 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.516 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.85 86.8 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.259 -0.901 . . . . 0.0 109.495 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.435 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.93 -39.7 72.51 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.93 -39.45 94.2 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 117.941 -1.504 . . . . 0.0 109.469 177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.63 -45.34 93.29 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 122.533 1.158 . . . . 0.0 108.654 -177.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.516 HG23 ' O ' ' D' ' 319' ' ' ALA . 68.8 t -62.67 -42.21 95.22 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.275 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.71 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.94 -40.22 95.95 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.247 -0.908 . . . . 0.0 109.74 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.66 80.09 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.365 -0.835 . . . . 0.0 109.602 177.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -44.03 91.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.608 -1.307 . . . . 0.0 109.422 178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.27 -16.25 43.55 Favored 'General case' 0 N--CA 1.512 2.637 0 O-C-N 121.311 -0.868 . . . . 0.0 113.3 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.94 -10.57 86.13 Favored Glycine 0 N--CA 1.478 1.482 0 O-C-N 119.908 -1.745 . . . . 0.0 109.287 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.47 143.37 32.81 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.273 -1.722 . . . . 0.0 110.002 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.6 -30.1 59.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.23 -0.919 . . . . 0.0 112.315 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.48 10.24 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 119.791 -1.818 . . . . 0.0 112.829 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.584 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.83 130.24 35.48 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 102.879 -3.008 . . . . 0.0 102.879 171.223 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.73 136.65 60.19 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.439 0 CA-C-O 122.25 1.024 . . . . 0.0 109.275 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.98 143.24 51.0 Favored 'General case' 0 C--N 1.285 -2.207 0 CA-C-O 123.058 1.409 . . . . 0.0 109.965 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.18 129.97 61.54 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.719 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 173.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.5 m -127.49 119.66 26.58 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.875 -1.141 . . . . 0.0 108.885 -178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.58 122.58 39.2 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.594 -0.692 . . . . 0.0 109.872 177.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.69 38.97 24.24 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.896 -1.127 . . . . 0.0 112.773 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.69 10.99 83.54 Favored Glycine 0 N--CA 1.5 2.96 0 O-C-N 119.881 -1.762 . . . . 0.0 112.528 177.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.84 136.19 54.58 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 177.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.76 158.52 33.1 Favored 'General case' 0 C--N 1.276 -2.627 0 CA-C-O 123.774 1.749 . . . . 0.0 112.411 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.68 151.38 31.38 Favored 'General case' 0 C--N 1.278 -2.54 0 CA-C-N 112.511 -2.131 . . . . 0.0 108.626 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.58 135.95 48.88 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 105.593 -2.003 . . . . 0.0 105.593 173.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.94 -6.84 47.96 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 120.726 -1.234 . . . . 0.0 110.733 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.51 13.05 31.29 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.715 -1.24 . . . . 0.0 109.361 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 70.1 m -133.12 104.06 6.33 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 122.206 1.003 . . . . 0.0 110.13 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.0 tp -57.16 -37.95 72.84 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.977 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -58.92 -51.26 70.81 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.609 -1.307 . . . . 0.0 113.072 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.14 -32.41 70.39 Favored 'General case' 0 C--O 1.213 -0.836 0 O-C-N 119.579 -1.951 . . . . 0.0 109.184 -178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.78 -33.74 75.8 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.01 -1.076 . . . . 0.0 109.905 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.516 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 1.0 OUTLIER -67.75 -10.38 52.07 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.644 -0.66 . . . . 0.0 109.934 -177.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 32.2 p -89.8 -7.69 53.8 Favored 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 118.112 -1.435 . . . . 0.0 110.954 -178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 98.0 mt -93.37 159.34 15.3 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.244 -0.91 . . . . 0.0 110.119 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.76 104.94 2.98 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 106.887 -2.485 . . . . 0.0 106.887 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.5 mt -119.65 47.35 1.73 Allowed 'General case' 0 C--N 1.309 -1.175 0 O-C-N 120.721 -1.458 . . . . 0.0 107.394 -178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 62.1 p -81.35 172.55 13.44 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.269 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -60.7 140.88 57.35 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.329 -0.948 . . . . 0.0 109.864 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.08 79.01 Favored Glycine 0 N--CA 1.5 2.959 0 O-C-N 121.009 -1.057 . . . . 0.0 111.303 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.43 135.94 34.06 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 120.927 -1.337 . . . . 0.0 110.557 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.1 t -96.56 123.62 48.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 176.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.486 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.13 160.08 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.347 0 C-N-CA 117.346 -1.742 . . . . 0.0 110.66 178.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.5 m -108.85 128.29 54.78 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.517 -1.365 . . . . 0.0 107.678 175.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.77 121.35 60.59 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 176.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.29 50.71 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -179.55 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.79 153.37 47.11 Favored 'General case' 0 C--N 1.294 -1.845 0 C-N-CA 118.545 -1.262 . . . . 0.0 109.736 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.525 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.77 6.42 Favored 'General case' 0 C--N 1.288 -2.08 0 C-N-CA 118.556 -1.258 . . . . 0.0 108.052 178.204 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.29 40.14 Favored Glycine 0 C--N 1.296 -1.682 0 C-N-CA 117.981 -2.056 . . . . 0.0 110.351 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.48 -40.56 83.07 Favored 'General case' 0 C--N 1.276 -2.629 0 CA-C-N 114.441 -0.879 . . . . 0.0 112.167 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.09 36.88 3.51 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 115.845 -2.342 . . . . 0.0 108.55 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.42 -33.52 65.9 Favored 'General case' 0 N--CA 1.521 3.105 0 N-CA-C 116.866 2.173 . . . . 0.0 116.866 -174.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.447 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.65 27.51 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.624 -1.922 . . . . 0.0 110.965 -176.592 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.775 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.46 -40.78 98.05 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.55 77.43 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 117.456 -1.698 . . . . 0.0 110.038 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.76 -42.24 89.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 CA-C-O 122.29 1.043 . . . . 0.0 109.319 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.91 -47.93 76.57 Favored 'General case' 0 C--N 1.287 -2.111 0 CA-C-O 122.068 0.937 . . . . 0.0 108.762 -178.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.775 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.69 -38.43 76.99 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.695 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.439 HD22 ' CE1' ' D' ' 322' ' ' PHE . 80.5 mt -75.6 -28.55 58.95 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.361 -1.462 . . . . 0.0 110.912 -174.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.48 70.74 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.3 62.75 Favored 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.24 -45.23 84.12 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 118.975 -1.09 . . . . 0.0 110.558 177.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.486 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.36 -37.3 85.16 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.925 -1.109 . . . . 0.0 111.602 -177.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.95 -31.79 61.58 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.188 -0.945 . . . . 0.0 110.264 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.87 -32.36 45.89 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.501 -0.749 . . . . 0.0 111.27 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.09 125.5 12.37 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-O 124.337 2.017 . . . . 0.0 112.83 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.2 mt-10 . . . . . 0 C--N 1.277 -2.555 0 CA-C-N 111.127 -2.76 . . . . 0.0 110.127 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -57.32 -38.13 73.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.569 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 6' ' ' GLU . 96.9 mt-10 -62.39 -69.09 0.28 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.418 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.9 mt -37.5 -39.45 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.429 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -64.62 -47.38 78.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.9 0.381 . . . . 0.0 110.278 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 3' ' ' GLU . 70.9 mm-40 -66.66 -37.55 85.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.264 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.496 HG11 HD11 ' A' ' 58' ' ' LEU . 74.2 t -63.05 -42.48 96.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.386 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 4' ' ' LEU . 77.8 t -60.13 -45.22 96.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.927 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mtp -58.72 -40.94 85.17 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.83 -42.25 97.12 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.96 -42.84 99.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.885 0.374 . . . . 0.0 110.251 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' CG2' ' OG1' ' D' ' 316' ' ' THR . 93.6 mt -62.73 -44.49 99.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.759 179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.435 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.9 mt -63.0 -43.69 99.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.02 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.403 HD22 ' HA ' ' A' ' 14' ' ' ASN . 7.1 m120 -61.34 -46.34 90.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.713 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.4 m -59.93 -44.29 94.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.001 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.0 -41.7 99.84 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.133 -1.187 . . . . 0.0 110.133 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.41 -41.95 98.73 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.08 -49.1 78.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.877 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -60.42 -45.76 92.46 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.41 ' HG ' HH21 ' D' ' 317' ' ' ARG . 67.1 m -54.5 -43.77 72.11 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.53 -41.71 99.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.716 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -58.88 -49.44 77.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -60.02 -42.21 93.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.587 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.46 96.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.744 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.76 89.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.605 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.6 -46.0 91.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.46 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -55.64 -42.88 75.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.17 0.509 . . . . 0.0 109.631 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.672 ' NE2' ' HB1' ' A' ' 36' ' ' ALA . 98.0 mt-30 -60.43 -41.25 93.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.813 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.43 93.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.711 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.61 -29.54 70.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.135 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -83.11 -5.42 59.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.445 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 18.56 64.14 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -100.88 78.65 1.96 Allowed 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.777 0.323 . . . . 0.0 110.285 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -65.43 -33.44 75.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.645 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -48.44 79.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.148 0.499 . . . . 0.0 110.773 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.672 ' HB1' ' NE2' ' A' ' 28' ' ' GLN . . . -65.5 -34.95 79.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.382 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.4 -46.73 87.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.614 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.48 -41.89 97.94 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.626 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.2 94.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.586 ' CE ' ' NE2' ' A' ' 28' ' ' GLN . 45.9 mtt -65.55 -40.65 93.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.463 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.501 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 19.1 mmt -62.51 -42.9 99.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.632 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -62.39 -45.59 92.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.996 0.426 . . . . 0.0 110.551 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.2 -41.99 96.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.21 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.43 -46.35 90.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.559 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -60.47 -43.16 97.23 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.38 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.61 -42.57 99.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.141 0.496 . . . . 0.0 110.621 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.05 98.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.162 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.476 HD21 ' CB ' ' A' ' 18' ' ' ALA . 97.6 mt -65.59 -39.94 92.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.74 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -61.29 -41.41 96.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.274 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.28 -39.6 92.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.198 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.532 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -67.46 -45.1 76.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.422 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.7 -38.73 88.94 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.381 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.19 -43.74 98.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.92 -43.77 97.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.04 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.743 HE22 HD23 ' A' ' 74' ' ' LEU . 0.6 OUTLIER -60.15 -41.64 93.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.301 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 69.4 m -56.89 -44.1 81.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.996 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.74 -40.19 96.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.534 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.496 HD11 HG11 ' A' ' 7' ' ' VAL . 98.3 mt -62.94 -31.01 72.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.669 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -86.5 -31.34 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.829 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -83.19 -8.07 59.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.528 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.56 141.98 44.9 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -91.66 -2.1 57.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.33 . . . . 0.0 110.539 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.27 52.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.51 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.31 119.45 6.51 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.546 ' C ' ' H ' ' A' ' 67' ' ' LYS . 84.2 tt0 -91.72 105.63 17.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.899 0.38 . . . . 0.0 110.695 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.79 -35.54 0.23 Allowed Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.546 ' H ' ' C ' ' A' ' 65' ' ' GLU . 99.4 mttt -79.23 139.05 38.03 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.718 0.294 . . . . 0.0 110.409 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 29.5 ttm -68.58 -89.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.594 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -128.72 -20.16 3.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.6 t -97.67 116.84 41.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.726 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.486 ' O ' HG23 ' A' ' 75' ' ' VAL . 85.4 p -131.28 163.25 28.22 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.4 mt -56.89 -44.11 81.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.671 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.592 HG13 HG21 ' A' ' 8' ' ' VAL . 54.7 t -63.49 -47.93 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.887 0.375 . . . . 0.0 110.551 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.743 HD23 HE22 ' A' ' 55' ' ' GLN . 83.5 mt -63.79 -42.5 97.73 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 121.027 0.442 . . . . 0.0 110.928 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 71' ' ' SER . 53.2 t -59.86 -47.74 90.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.178 -179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.93 -45.32 90.69 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.271 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.65 96.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.606 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -64.54 -40.17 95.1 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.181 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 83' ' ' THR . 40.5 tp -57.51 -47.62 81.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.361 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.42 ' NE2' HG21 ' D' ' 316' ' ' THR . 56.2 m80 -67.45 -48.2 67.92 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.725 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.532 HD21 ' HB1' ' A' ' 51' ' ' ALA . 14.4 mt -61.57 -45.26 94.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.872 -178.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.8 -45.05 95.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.7 p -62.15 -47.21 85.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.076 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.7 t -62.23 -47.84 82.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.441 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.9 ttp -58.68 -48.28 81.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.61 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.89 -45.23 95.43 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.127 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.54 88.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.801 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -61.6 -45.35 94.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.073 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 95.5 mt-10 -61.2 -49.67 76.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.107 -179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.37 -41.71 96.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.219 0.533 . . . . 0.0 109.883 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.493 HD13 ' HB1' ' A' ' 22' ' ' ALA . 31.5 mt -59.77 -42.11 87.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.501 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 98.3 m -58.32 -45.96 87.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.988 0.423 . . . . 0.0 109.872 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.7 -42.51 99.68 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 13.9 mt -59.6 -43.19 93.79 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.21 -42.33 93.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.582 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -59.89 -39.43 85.31 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.804 HD21 ' NE2' ' B' ' 98' ' ' HIS . 36.7 mt -62.07 -41.71 98.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.887 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.567 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 75.5 m80 -60.04 -40.2 88.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' A' ' 102' ' ' LYS . 81.2 tt0 -64.04 -38.51 91.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.217 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -62.69 -39.88 95.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.24 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.52 -42.18 99.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.43 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.3 mttt -91.71 142.51 27.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.515 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.576 -179.805 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -57.56 -37.88 73.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.0 mt-10 -62.72 -68.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.481 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.65 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.9 mt -37.75 -39.44 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.504 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -64.39 -47.33 79.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.942 0.401 . . . . 0.0 110.396 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' B' ' 3' ' ' GLU . 71.3 mm-40 -66.7 -37.81 85.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.125 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.483 HG11 HD11 ' B' ' 58' ' ' LEU . 74.9 t -62.74 -42.56 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.371 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.65 HG23 ' O ' ' B' ' 4' ' ' LEU . 75.8 t -60.14 -45.17 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.896 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.09 -40.59 85.74 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.0 -42.17 96.92 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 11' ' ' LEU . 83.6 mt -63.01 -42.78 99.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.794 0.331 . . . . 0.0 110.382 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.06 -44.41 99.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.691 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.98 -43.82 99.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.94 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -61.09 -46.34 91.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.872 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 68.1 m -59.94 -44.28 94.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.059 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.99 -41.89 99.8 Favored Glycine 0 CA--C 1.521 0.407 0 N-CA-C 110.03 -1.228 . . . . 0.0 110.03 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.16 -42.14 99.38 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.483 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.89 -48.88 78.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.878 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.76 -45.7 93.32 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -54.45 -43.51 71.71 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.81 -41.97 99.52 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.688 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -58.98 -48.94 79.75 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.468 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 8.7 m-85 -60.22 -42.06 94.38 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.634 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.91 95.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.694 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.23 -43.95 88.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.613 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.1 tp -61.4 -46.23 91.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.309 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -55.59 -43.14 75.72 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.692 ' NE2' ' HB1' ' B' ' 36' ' ' ALA . 98.0 mt-30 -60.17 -40.99 91.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.869 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.12 -42.12 94.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.765 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.95 -29.36 70.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.004 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -83.22 -5.9 59.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.405 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.0 18.17 63.7 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -100.64 78.01 1.95 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.762 0.315 . . . . 0.0 110.331 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -65.09 -33.49 76.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.635 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.46 -48.84 77.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.048 0.451 . . . . 0.0 110.757 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.692 ' HB1' ' NE2' ' B' ' 28' ' ' GLN . . . -65.25 -34.78 79.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.393 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.37 -47.0 86.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.543 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.31 -42.05 98.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.597 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.43 93.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.659 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . 0.596 ' CE ' ' NE2' ' B' ' 28' ' ' GLN . 46.1 mtt -65.44 -40.81 93.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.536 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.445 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 18.6 mmt -62.41 -43.02 99.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.599 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.32 -45.9 91.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.414 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.7 -41.97 98.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.3 t -61.53 -46.59 89.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.529 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -60.36 -43.06 96.89 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.345 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 94.0 mtp -61.55 -42.73 99.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.295 0.569 . . . . 0.0 110.625 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.67 -41.8 98.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.158 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.483 HD21 ' CB ' ' B' ' 18' ' ' ALA . 96.4 mt -65.96 -39.96 90.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.741 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.41 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 51.0 t-20 -61.03 -41.47 96.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.349 -179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.34 -39.69 92.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.185 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.532 ' HB1' HD21 ' B' ' 81' ' ' LEU . . . -67.38 -44.94 77.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.472 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.93 -38.66 89.29 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.302 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.24 -43.89 98.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.277 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 47.6 t -63.67 -43.98 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.998 0.428 . . . . 0.0 110.081 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.765 HE22 HD23 ' B' ' 74' ' ' LEU . 0.6 OUTLIER -60.11 -41.73 93.2 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.276 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 74.5 m -56.74 -43.94 81.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.0 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.04 -40.0 95.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 110.531 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.489 HD22 ' CD2' ' B' ' 4' ' ' LEU . 98.3 mt -63.15 -30.82 71.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.669 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -86.64 -31.24 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.745 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -83.0 -8.87 59.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.559 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.9 141.94 45.8 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -91.97 -1.77 57.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.787 0.327 . . . . 0.0 110.562 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.63 53.18 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.462 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.57 119.87 6.65 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.553 ' C ' ' H ' ' B' ' 67' ' ' LYS . 84.3 tt0 -91.76 105.58 17.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.317 . . . . 0.0 110.608 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.06 -35.89 0.24 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.553 ' H ' ' C ' ' B' ' 65' ' ' GLU . 99.5 mttt -78.8 139.57 38.37 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.626 0.251 . . . . 0.0 110.482 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 28.9 ttm -69.29 -89.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -129.05 -19.45 3.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 18.2 t -99.35 116.49 42.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.74 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.541 ' O ' HG23 ' B' ' 75' ' ' VAL . 97.8 p -130.57 166.12 21.29 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.5 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.38 -43.69 96.36 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.538 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.591 HG13 HG21 ' B' ' 8' ' ' VAL . 56.0 t -62.65 -47.05 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.659 -178.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.765 HD23 HE22 ' B' ' 55' ' ' GLN . 82.7 mt -64.23 -41.89 96.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.976 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.541 HG23 ' O ' ' B' ' 71' ' ' SER . 53.5 t -60.36 -47.9 90.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.354 -179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -58.58 -45.83 88.21 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.303 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.29 97.14 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.861 0.362 . . . . 0.0 110.402 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -63.88 -40.42 96.47 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.209 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.472 ' O ' HG23 ' B' ' 83' ' ' THR . 40.3 tp -57.27 -47.96 80.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.38 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -67.33 -47.62 69.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.781 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.532 HD21 ' HB1' ' B' ' 51' ' ' ALA . 14.2 mt -62.16 -45.0 95.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.32 -44.28 96.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.238 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.472 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.6 p -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.151 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.39 -47.82 82.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.58 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.47 -48.53 80.45 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.474 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.74 -45.32 94.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.1 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.54 88.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.876 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.57 -45.36 94.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.251 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.463 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.3 mt-10 -61.17 -49.11 78.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.146 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 88.4 mt -65.22 -41.21 94.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.0 109.975 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.495 HD13 ' HB1' ' B' ' 22' ' ' ALA . 31.9 mt -59.91 -42.05 88.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.216 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.445 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 98.9 m -58.56 -45.75 88.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.056 0.455 . . . . 0.0 109.818 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.92 -42.22 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.557 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.0 mt -59.96 -43.25 95.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 88.6 mt -61.21 -42.22 92.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.56 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -59.8 -39.56 85.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.759 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.811 HD21 ' NE2' ' C' ' 98' ' ' HIS . 35.8 mt -62.15 -41.44 98.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.829 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.804 ' NE2' HD21 ' A' ' 97' ' ' LEU . 75.6 m80 -60.02 -40.44 89.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.78 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' B' ' 102' ' ' LYS . 81.1 tt0 -63.9 -38.4 90.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.142 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -62.94 -39.8 95.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.177 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.45 -42.28 99.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.406 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.3 mttt -91.78 142.54 27.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.572 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.39 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.57 -179.714 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -57.6 -38.04 74.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.628 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' C' ' 6' ' ' GLU . 96.9 mt-10 -62.41 -68.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.375 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.646 ' O ' HG23 ' C' ' 8' ' ' VAL . 98.5 mt -37.97 -39.44 0.38 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.449 -179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.4 -47.35 79.53 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.859 0.361 . . . . 0.0 110.396 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' C' ' 3' ' ' GLU . 71.2 mm-40 -66.65 -37.24 84.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.354 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.502 HG11 HD11 ' C' ' 58' ' ' LEU . 74.9 t -63.39 -42.01 94.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.387 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.646 HG23 ' O ' ' C' ' 4' ' ' LEU . 74.7 t -60.63 -45.1 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.012 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.04 -40.52 85.32 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.11 -42.3 96.64 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.8 -42.84 99.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.321 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.0 mt -63.07 -44.3 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.688 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.87 -44.12 99.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.057 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.01 -46.73 89.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.819 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 67.4 m -59.33 -44.29 92.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.197 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.96 -42.02 99.77 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.091 -1.203 . . . . 0.0 110.091 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.25 -41.93 99.12 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.487 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -57.74 -49.5 76.35 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.36 -45.98 91.58 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.2 m -54.31 -43.65 71.32 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.45 -42.24 99.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.762 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.492 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -58.49 -49.3 77.84 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.463 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.5 m-85 -60.17 -42.32 94.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.477 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.47 96.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.82 89.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.524 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.67 -45.67 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.484 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -56.04 -42.57 76.78 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . 0.692 ' NE2' ' HB1' ' C' ' 36' ' ' ALA . 97.8 mt-30 -60.88 -40.54 93.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.96 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.61 95.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.796 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.39 -29.72 70.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.041 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -83.02 -5.52 59.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.458 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.43 18.54 64.04 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -100.87 78.36 1.94 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.826 0.346 . . . . 0.0 110.317 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -65.32 -33.64 76.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.59 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.73 78.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.96 0.41 . . . . 0.0 110.644 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . 0.692 ' HB1' ' NE2' ' C' ' 28' ' ' GLN . . . -65.41 -35.14 80.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.422 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.15 -46.8 87.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.487 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.39 -42.17 98.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.662 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.68 -42.51 93.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.694 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . 0.576 ' CE ' ' NE2' ' C' ' 28' ' ' GLN . 46.0 mtt -65.42 -40.62 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.572 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.483 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 19.2 mmt -62.25 -43.35 99.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.575 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.41 -45.85 91.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.443 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.7 -41.97 98.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.4 t -61.31 -46.69 89.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.561 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -60.55 -42.83 97.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.343 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.0 mtp -61.7 -42.66 99.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.259 0.552 . . . . 0.0 110.495 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.13 98.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.322 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.487 HD21 ' CB ' ' C' ' 18' ' ' ALA . 96.9 mt -65.73 -39.81 91.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.731 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . 0.4 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 51.3 t-20 -61.38 -41.57 97.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.352 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -64.92 -40.11 94.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.048 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' C' ' 81' ' ' LEU . . . -67.1 -45.38 77.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.423 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -61.5 -38.5 87.57 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.302 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 41.1 mt -61.73 -43.37 98.99 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.311 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -64.03 -43.87 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.015 0.436 . . . . 0.0 109.977 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.763 HE22 HD23 ' C' ' 74' ' ' LEU . 0.6 OUTLIER -60.23 -41.92 94.13 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.237 -179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 76.7 m -56.37 -44.17 79.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.176 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.92 -40.15 95.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.496 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.502 HD11 HG11 ' C' ' 7' ' ' VAL . 98.4 mt -62.82 -30.76 71.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -86.68 -31.23 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.8 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.516 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 78.3 mm-40 -83.14 -8.87 59.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.439 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.94 142.02 45.84 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -92.07 -1.76 57.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.849 0.357 . . . . 0.0 110.508 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.46 53.02 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.486 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.42 119.81 6.64 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . 0.558 ' C ' ' H ' ' C' ' 67' ' ' LYS . 83.7 tt0 -91.74 105.69 17.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.762 0.315 . . . . 0.0 110.61 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.84 -35.77 0.23 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.558 ' H ' ' C ' ' C' ' 65' ' ' GLU . 99.6 mttt -78.71 139.36 38.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.641 0.258 . . . . 0.0 110.562 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 29.3 ttm -69.14 -89.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -129.1 -19.53 3.54 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 18.7 t -98.8 116.24 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.705 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.553 ' O ' HG23 ' C' ' 75' ' ' VAL . 99.5 p -129.64 168.28 16.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.494 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.95 -43.22 99.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.627 -177.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.538 HG13 HG21 ' C' ' 8' ' ' VAL . 53.7 t -63.69 -47.2 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 130.181 3.393 . . . . 0.0 110.621 -178.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.763 HD23 HE22 ' C' ' 55' ' ' GLN . 85.9 mt -66.68 -41.68 87.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.066 0.46 . . . . 0.0 110.943 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.553 HG23 ' O ' ' C' ' 71' ' ' SER . 54.4 t -60.61 -48.02 90.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.251 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -58.94 -45.62 89.98 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.371 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.75 96.82 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.824 0.345 . . . . 0.0 110.358 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -64.44 -40.22 95.32 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.484 ' O ' HG23 ' C' ' 83' ' ' THR . 39.0 tp -57.36 -47.87 80.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.485 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -67.35 -48.14 68.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.727 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . 0.539 HD21 ' HB1' ' C' ' 51' ' ' ALA . 14.1 mt -61.68 -45.37 94.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.844 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.77 -44.41 96.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.381 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.484 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.0 p -62.67 -47.36 84.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.186 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.02 -47.77 83.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.613 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.8 ttp -58.52 -48.48 80.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.491 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.9 tp -60.84 -45.35 94.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.164 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.94 -46.72 87.31 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.945 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -61.33 -45.6 93.74 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.113 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.94 -49.04 79.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 0.0 110.13 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 88.5 mt -65.36 -41.49 93.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.147 0.499 . . . . 0.0 109.984 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.492 HD13 ' HB1' ' C' ' 22' ' ' ALA . 32.1 mt -59.66 -42.24 87.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.39 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.483 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 98.1 m -58.23 -45.92 86.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.065 0.459 . . . . 0.0 109.918 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.84 -42.25 99.67 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.0 mt -59.94 -42.92 95.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 87.5 mt -61.32 -42.22 92.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.602 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.05 -39.15 84.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.778 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.51 HD21 ' NE2' ' A' ' 98' ' ' HIS . 37.5 mt -62.19 -41.88 98.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.914 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.811 ' NE2' HD21 ' B' ' 97' ' ' LEU . 76.0 m80 -59.79 -40.4 88.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.794 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.482 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.5 tt0 -63.95 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.159 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -62.79 -39.76 95.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.209 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 14.7 mt -62.54 -42.51 99.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.256 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.482 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.3 mttt -91.41 142.78 27.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.527 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.512 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.518 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.698 0 CA-C-O 121.89 0.852 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.461 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.71 142.97 36.84 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 107.205 -1.405 . . . . 0.0 107.205 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.02 156.23 38.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.046 -1.034 . . . . 0.0 109.558 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.1 149.17 28.51 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.16 152.31 18.94 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.04 -1.037 . . . . 0.0 108.434 178.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.8 144.35 19.29 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.7 136.66 36.92 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.144 0.973 . . . . 0.0 110.125 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . 0.404 HD13 HG21 ' D' ' 308' ' ' ILE . 50.7 mt -85.03 114.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 177.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.92 -4.28 19.29 Favored 'General case' 0 C--N 1.265 -3.106 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.817 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.77 85.66 Favored Pre-proline 0 N--CA 1.5 2.025 0 O-C-N 119.658 -1.901 . . . . 0.0 110.591 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -45.39 -47.7 12.62 Favored 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 124.72 3.613 . . . . 0.0 114.181 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.592 HD22 ' C ' ' D' ' 312' ' ' ASN . 0.1 OUTLIER -102.13 27.52 6.58 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 116.075 -2.25 . . . . 0.0 108.779 179.407 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.52 -145.21 48.85 Favored Glycine 0 N--CA 1.496 2.697 0 C-N-CA 117.74 -2.172 . . . . 0.0 109.623 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.4 tp -97.58 80.67 2.85 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.866 -1.373 . . . . 0.0 109.555 -176.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.502 ' CD2' ' OD1' ' D' ' 312' ' ' ASN . 2.7 p80 -83.15 174.46 10.78 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 117.896 -1.522 . . . . 0.0 112.132 -178.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.8 p -30.5 -69.03 0.07 Allowed 'General case' 0 N--CA 1.504 2.246 0 N-CA-C 117.277 2.325 . . . . 0.0 117.277 -176.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.536 ' N ' ' OG1' ' D' ' 316' ' ' THR . 4.2 tpt85 -48.71 -60.57 4.36 Favored Pre-proline 0 N--CA 1.494 1.73 0 C-N-CA 120.129 -0.628 . . . . 0.0 112.529 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.13 -32.28 63.82 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 121.937 1.758 . . . . 0.0 111.485 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.47 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.0 -38.85 86.76 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 119.491 -0.883 . . . . 0.0 109.476 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.78 72.73 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.89 -39.44 94.2 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 118.036 -1.466 . . . . 0.0 109.504 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.66 -45.36 93.16 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-O 122.61 1.195 . . . . 0.0 108.651 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.618 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 53.0 t -62.68 -42.17 95.07 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.285 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.649 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.517 ' NZ ' HD13 ' A' ' 13' ' ' ILE . 80.1 mttt -63.98 -40.23 95.92 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.268 -0.895 . . . . 0.0 109.751 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.524 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.79 -39.66 80.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.49 -0.756 . . . . 0.0 109.578 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.02 91.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.645 -1.284 . . . . 0.0 109.411 178.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . 0.618 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.3 mttp -61.35 -16.23 44.13 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.337 -0.852 . . . . 0.0 113.264 178.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.55 86.1 Favored Glycine 0 N--CA 1.479 1.541 0 O-C-N 119.946 -1.721 . . . . 0.0 109.344 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.411 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.48 143.34 32.84 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.295 -1.709 . . . . 0.0 109.944 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.67 -30.03 59.25 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.206 -0.934 . . . . 0.0 112.293 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.83 158.59 10.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 119.765 -1.835 . . . . 0.0 112.796 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.98 130.16 35.25 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 102.827 -3.027 . . . . 0.0 102.827 171.295 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.65 136.53 60.54 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.398 0 O-C-N 121.101 -1.0 . . . . 0.0 109.34 -178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.84 143.23 50.93 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-O 123.041 1.401 . . . . 0.0 110.015 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.8 t -108.16 129.92 61.59 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.754 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 173.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.417 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 68.8 m -127.45 119.69 26.68 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 120.898 -1.126 . . . . 0.0 108.894 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.67 122.57 39.1 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.507 -0.746 . . . . 0.0 109.921 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 39.05 24.51 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.917 -1.114 . . . . 0.0 112.797 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.6 10.98 83.66 Favored Glycine 0 N--CA 1.502 3.047 0 O-C-N 119.97 -1.706 . . . . 0.0 112.572 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.81 136.3 54.52 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 177.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.4 m -124.81 158.54 33.13 Favored 'General case' 0 C--N 1.275 -2.671 0 CA-C-O 123.8 1.762 . . . . 0.0 112.424 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.36 31.31 Favored 'General case' 0 C--N 1.279 -2.497 0 CA-C-N 112.501 -2.136 . . . . 0.0 108.604 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.59 136.02 48.9 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 105.553 -2.018 . . . . 0.0 105.553 173.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.81 47.94 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 120.69 -1.256 . . . . 0.0 110.753 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.45 12.93 31.57 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.679 -1.263 . . . . 0.0 109.39 -177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 84.5 p -133.05 104.22 6.42 Favored 'General case' 0 C--N 1.298 -1.645 0 CA-C-O 122.195 0.998 . . . . 0.0 110.091 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 43.1 tp -57.34 -37.87 73.22 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.94 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -58.9 -51.37 70.32 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.539 -1.351 . . . . 0.0 113.063 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.06 -32.38 70.46 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 119.479 -2.013 . . . . 0.0 109.262 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.8 -33.76 75.87 Favored 'General case' 0 N--CA 1.494 1.761 0 C-N-CA 119.015 -1.074 . . . . 0.0 109.932 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.523 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 57.0 tt0 -67.7 -10.43 52.31 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.607 -0.683 . . . . 0.0 110.004 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . 0.703 HG22 ' HZ1' ' C' ' 69' ' ' LYS . 34.3 p -89.75 -7.81 53.65 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 118.137 -1.425 . . . . 0.0 110.95 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.6 mt -93.2 159.33 15.33 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.304 -0.873 . . . . 0.0 110.202 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.79 2.96 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 106.952 -2.459 . . . . 0.0 106.952 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.0 mt -119.59 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.226 0 O-C-N 120.738 -1.448 . . . . 0.0 107.453 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.418 ' CG2' HG21 ' C' ' 56' ' ' THR . 69.3 p -81.45 172.52 13.42 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 118.74 -1.184 . . . . 0.0 109.259 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -60.67 140.91 57.29 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 119.315 -0.954 . . . . 0.0 109.879 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.24 78.89 Favored Glycine 0 N--CA 1.5 2.962 0 C-N-CA 120.002 -1.095 . . . . 0.0 111.329 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.37 135.94 34.08 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.91 -1.347 . . . . 0.0 110.622 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.2 t -96.59 123.72 49.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.11 160.07 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 119.973 -1.705 . . . . 0.0 110.656 178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.417 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.2 m -108.89 128.41 54.89 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.539 -1.35 . . . . 0.0 107.619 175.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.93 121.38 60.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.401 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.2 50.7 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -179.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.69 153.5 47.27 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 118.56 -1.256 . . . . 0.0 109.788 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.518 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.74 6.4 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 118.561 -1.256 . . . . 0.0 108.025 178.233 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.28 -170.29 40.17 Favored Glycine 0 C--N 1.295 -1.711 0 C-N-CA 118.031 -2.033 . . . . 0.0 110.385 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.62 82.58 Favored 'General case' 0 C--N 1.275 -2.631 0 CA-C-N 114.42 -0.89 . . . . 0.0 112.209 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.1 36.77 3.56 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 115.843 -2.343 . . . . 0.0 108.561 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.51 65.73 Favored 'General case' 0 N--CA 1.521 3.123 0 N-CA-C 116.871 2.174 . . . . 0.0 116.871 -174.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.414 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.93 -45.59 27.3 Favored 'General case' 0 N--CA 1.509 2.503 0 O-C-N 119.611 -1.931 . . . . 0.0 110.95 -176.538 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.827 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.56 -40.77 97.83 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.04 -49.55 77.45 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 117.464 -1.695 . . . . 0.0 110.024 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.5 t -66.78 -42.25 89.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 CA-C-O 122.248 1.023 . . . . 0.0 109.252 -178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.9 -47.9 76.6 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-O 122.101 0.953 . . . . 0.0 108.763 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.827 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.75 -38.39 76.78 Favored 'General case' 0 C--N 1.291 -1.94 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.687 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.7 mt -75.63 -28.57 58.86 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.327 -1.483 . . . . 0.0 110.863 -174.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.46 -39.53 71.2 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.498 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.85 -49.35 62.64 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.524 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.21 -45.15 84.08 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.004 -1.079 . . . . 0.0 110.564 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.49 -37.31 85.48 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.893 -1.13 . . . . 0.0 111.486 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.85 -31.85 61.75 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.041 -1.037 . . . . 0.0 110.275 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.92 -32.25 45.59 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.466 -0.772 . . . . 0.0 111.348 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.18 125.51 12.52 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 124.355 2.026 . . . . 0.0 112.895 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.817 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 11.1 pt-20 . . . . . 0 C--N 1.278 -2.537 0 CA-C-N 111.065 -2.789 . . . . 0.0 110.133 -177.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.13 -19.38 62.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.544 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 6' ' ' GLU . 81.8 tt0 -62.15 -34.97 77.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.501 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.578 ' O ' HG23 ' A' ' 8' ' ' VAL . 98.3 mt -37.31 -31.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.439 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 3' ' ' GLU . 52.4 tp10 -64.41 -45.27 88.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.915 0.388 . . . . 0.0 110.33 179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.7 mt-10 -66.99 -35.51 80.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.312 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.429 HG11 HD11 ' A' ' 58' ' ' LEU . 79.4 t -64.33 -42.59 95.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.385 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.603 HG21 HG13 ' A' ' 73' ' ' VAL . 86.8 t -60.45 -44.71 96.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.971 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.3 mtp -58.51 -42.04 86.81 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.62 -42.16 97.46 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.44 -43.4 97.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.188 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.52 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.726 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.517 HD13 ' NZ ' ' D' ' 324' ' ' LYS . 86.6 mt -63.66 -44.25 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.972 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -60.81 -46.28 91.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.809 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.8 m -60.35 -43.98 95.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.924 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.13 99.09 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.136 -1.186 . . . . 0.0 110.136 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.482 ' CG ' HH21 ' D' ' 317' ' ' ARG . 85.5 mt-30 -63.56 -43.04 98.22 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.15 -49.82 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.877 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.484 HH12 ' HB2' ' A' ' 87' ' ' ALA . 63.7 ttm-85 -59.97 -47.15 86.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -53.37 -43.38 67.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.56 -42.1 99.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.734 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.86 75.89 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -59.78 -44.55 93.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.626 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.8 93.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.785 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.17 -42.87 81.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.698 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.04 -45.22 95.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.423 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -55.73 -42.32 75.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.203 0.525 . . . . 0.0 109.585 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.58 -41.9 95.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.875 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.06 90.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.748 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.86 -29.24 70.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.181 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -81.88 -5.06 57.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.513 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.49 17.09 64.91 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -99.29 77.81 2.16 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.742 0.306 . . . . 0.0 110.305 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -65.38 -34.81 79.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.649 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.04 -49.37 74.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.083 0.468 . . . . 0.0 110.733 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.77 -35.62 81.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.408 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.3 -47.26 80.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.614 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -62.12 -44.82 95.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.554 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -44.52 96.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.775 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.4 mtp -65.63 -39.76 91.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.514 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.5 mmt -61.73 -41.7 98.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.624 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -63.46 -41.61 98.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.975 0.417 . . . . 0.0 110.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.74 -40.85 97.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.237 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.9 t -61.63 -45.15 95.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.562 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -60.66 -42.35 96.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.341 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.2 tpp -60.97 -43.34 98.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.221 0.534 . . . . 0.0 110.557 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.3 98.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.167 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.406 HD12 ' NE ' ' A' ' 88' ' ' ARG . 90.6 mt -66.47 -39.47 88.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.704 179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -60.11 -42.81 95.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.3 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.06 -38.91 92.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.255 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.52 75.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.47 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -61.35 -39.02 89.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.432 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 43.5 mt -60.75 -44.66 96.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.301 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.7 -43.11 93.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.973 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.476 HE22 ' CG1' ' A' ' 59' ' ' ILE . 10.2 tm0? -59.96 -44.0 94.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.212 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -56.87 -42.25 79.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.034 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.08 -39.23 91.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.954 0.407 . . . . 0.0 110.5 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.54 HD22 HD22 ' A' ' 4' ' ' LEU . 95.9 mt -63.46 -29.64 70.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.677 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.476 ' CG1' HE22 ' A' ' 55' ' ' GLN . 96.7 mt -86.23 -31.61 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.795 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -79.55 -10.23 59.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.468 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.37 169.23 0.42 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.37 141.37 58.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.609 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.7 143.96 54.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.44 164.96 42.21 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.76 103.78 0.29 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.841 0.353 . . . . 0.0 110.701 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.98 -3.04 53.3 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -106.41 121.6 44.59 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.789 0.328 . . . . 0.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.8 mmm -71.46 -158.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.623 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -85.55 -8.01 58.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.481 ' CG1' ' OE1' ' B' ' 76' ' ' GLU . 2.3 m -92.09 111.28 23.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.788 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 75' ' ' VAL . 84.2 p -129.97 162.68 28.12 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.6 mt -58.6 -41.73 86.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.654 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.603 HG13 HG21 ' A' ' 8' ' ' VAL . 79.8 t -64.44 -46.04 94.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.899 0.381 . . . . 0.0 110.498 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.36 -41.58 98.84 Favored 'General case' 0 CA--C 1.528 0.108 0 CA-C-O 120.983 0.421 . . . . 0.0 110.881 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 71' ' ' SER . 64.7 t -60.06 -46.74 93.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.223 -179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -58.86 -45.51 89.95 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.342 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.52 93.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.646 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.501 HE21 ' CG ' ' A' ' 82' ' ' MET . 47.4 tp60 -63.87 -41.89 97.65 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.165 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 83' ' ' THR . 44.9 tp -57.42 -46.17 83.81 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.458 -179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -67.45 -47.4 70.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.752 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.1 mt -61.51 -45.35 94.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.839 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.501 ' CG ' HE21 ' A' ' 78' ' ' GLN . 89.0 mmm -61.69 -43.75 98.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.171 -179.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.1 p -63.37 -47.03 83.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.097 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.8 m -62.22 -48.75 78.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.432 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.61 -48.74 79.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.731 0.3 . . . . 0.0 110.572 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.55 -45.3 93.55 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.112 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.484 ' HB2' HH12 ' A' ' 19' ' ' ARG . . . -59.32 -49.79 76.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.811 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.406 ' NE ' HD12 ' A' ' 48' ' ' LEU . 73.8 ttp85 -58.49 -45.26 89.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.157 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -60.2 -46.94 88.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.067 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.35 -41.64 93.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.21 0.528 . . . . 0.0 109.842 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.49 -42.57 91.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.305 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.3 m -58.51 -45.34 89.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.022 0.439 . . . . 0.0 109.864 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.469 ' OE1' HD13 ' B' ' 94' ' ' LEU . 97.0 mt-10 -62.89 -41.95 99.6 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.599 179.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.517 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.7 mt -59.42 -42.99 93.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.61 -42.57 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.536 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.62 -38.24 86.91 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.6 mt -63.14 -41.37 99.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.851 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.517 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.4 m80 -59.8 -40.45 88.38 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.55 -39.59 84.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.15 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -63.81 -36.1 82.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.216 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 80.6 mt -71.63 140.69 49.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.368 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -75.66 139.97 42.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.506 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.555 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.03 -19.7 63.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.563 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.554 ' O ' ' N ' ' B' ' 6' ' ' GLU . 81.0 tt0 -61.86 -35.15 77.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.447 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.568 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.8 mt -37.18 -30.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.489 -179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' B' ' 3' ' ' GLU . 52.0 tp10 -64.63 -45.22 87.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.96 0.409 . . . . 0.0 110.368 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.6 mt-10 -67.01 -35.64 80.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.175 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.439 HG11 HD11 ' B' ' 58' ' ' LEU . 78.9 t -64.23 -42.44 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.312 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.582 HG21 HG13 ' B' ' 73' ' ' VAL . 85.0 t -60.72 -44.64 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.848 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 88.5 mtp -58.68 -41.83 87.12 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.04 97.33 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.209 -1.157 . . . . 0.0 110.209 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.51 -43.42 97.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.784 0.326 . . . . 0.0 110.4 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.6 -44.41 98.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.718 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.61 -44.2 98.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.962 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -61.16 -45.99 92.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.859 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 66.5 m -60.43 -43.72 96.5 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.078 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.43 -43.19 98.61 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.42 -43.19 98.21 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.425 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.2 -49.74 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.842 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.488 HH12 ' HB2' ' B' ' 87' ' ' ALA . 63.4 ttm-85 -59.9 -47.13 87.01 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -53.6 -42.92 68.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 79.7 mt -62.81 -42.14 99.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.685 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.81 76.06 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.79 -44.5 93.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.634 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.67 -42.94 94.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.736 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.14 -42.95 81.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.622 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.13 -45.2 95.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.309 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -55.83 -42.37 75.62 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.58 -41.66 95.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.904 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -42.35 91.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.681 179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.39 -29.66 70.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.083 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.6 -5.11 57.73 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.332 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.81 16.41 65.64 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -98.87 78.03 2.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.777 0.322 . . . . 0.0 110.313 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -65.73 -34.95 79.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.658 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.21 76.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.095 0.474 . . . . 0.0 110.81 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.88 -35.8 82.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.423 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.02 -47.7 79.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -61.66 -45.49 93.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.522 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.99 96.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.717 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 45.9 mtp -65.4 -39.81 92.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.465 ' SD ' ' OG1' ' B' ' 92' ' ' THR . 2.4 mmt -61.63 -41.95 98.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.582 179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -63.4 -41.48 98.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.47 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.73 -41.06 98.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.225 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 38.9 t -61.38 -45.37 94.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.549 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -60.45 -42.37 96.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.285 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 35.8 tpp -61.06 -42.92 99.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.287 0.565 . . . . 0.0 110.62 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.04 99.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.171 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' B' ' 18' ' ' ALA . 92.1 mt -66.71 -39.53 88.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.777 179.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.419 ' C ' ' OD1' ' B' ' 49' ' ' ASN . 49.4 t-20 -59.93 -42.97 95.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.311 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -64.88 -39.49 93.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.17 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.64 -44.61 77.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.428 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.53 -38.85 88.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.301 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 44.3 mt -60.79 -44.34 96.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.326 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -66.19 -42.65 91.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 0.0 110.055 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.48 HE22 ' CG1' ' B' ' 59' ' ' ILE . 10.0 tm0? -60.28 -43.63 96.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.215 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.6 m -57.15 -42.93 81.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.913 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.39 -39.54 91.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.876 0.369 . . . . 0.0 110.529 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.516 HD22 HD22 ' B' ' 4' ' ' LEU . 96.0 mt -63.09 -29.91 71.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.727 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.48 ' CG1' HE22 ' B' ' 55' ' ' GLN . 96.7 mt -86.08 -31.72 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.704 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -79.55 -10.05 59.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.536 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.38 168.6 0.49 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.02 140.99 58.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.754 0.312 . . . . 0.0 110.604 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.48 144.18 54.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.411 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.52 165.02 42.13 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -60.7 103.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.601 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.98 -3.01 53.45 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -106.41 122.09 45.56 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.643 0.259 . . . . 0.0 110.456 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mmm -72.01 -157.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.697 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -86.36 -7.3 58.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.454 ' CG1' ' OE1' ' C' ' 76' ' ' GLU . 2.7 m -93.56 111.2 24.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.792 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.45 ' O ' HG23 ' B' ' 75' ' ' VAL . 91.2 p -129.69 164.34 24.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.551 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.62 -41.81 95.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.545 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.582 HG13 HG21 ' B' ' 8' ' ' VAL . 75.0 t -63.27 -45.37 98.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.645 -178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.69 -41.29 98.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.45 HG23 ' O ' ' B' ' 71' ' ' SER . 57.6 t -60.14 -47.19 93.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.296 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.481 ' OE1' ' CG1' ' A' ' 70' ' ' VAL . 81.6 tt0 -58.58 -45.92 88.05 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.26 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.74 -42.54 95.1 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.916 0.388 . . . . 0.0 110.406 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.496 HE21 ' CG ' ' B' ' 82' ' ' MET . 47.1 tp60 -63.78 -41.84 97.87 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.502 ' O ' HG23 ' B' ' 83' ' ' THR . 45.6 tp -57.51 -46.13 84.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.375 -179.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -67.51 -47.45 69.93 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.694 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.41 -45.5 94.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . 0.496 ' CG ' HE21 ' B' ' 78' ' ' GLN . 89.3 mmm -61.48 -44.17 97.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.307 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.502 HG23 ' O ' ' B' ' 79' ' ' LEU . 22.2 p -62.69 -47.2 84.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.141 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 71.0 m -62.18 -48.74 78.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.622 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.7 ttp -58.74 -48.84 79.78 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.471 -179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.44 -45.32 93.62 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.806 -0.357 . . . . 0.0 110.129 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.488 ' HB2' HH12 ' B' ' 19' ' ' ARG . . . -59.3 -49.91 76.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.877 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 73.8 ttp85 -58.46 -45.09 89.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.262 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -60.32 -47.07 87.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.16 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' B' ' 90' ' ' LEU . 94.7 mt -65.26 -41.3 94.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.1 0.476 . . . . 0.0 110.009 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.76 -42.56 92.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.223 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.465 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 19.5 m -58.47 -45.44 88.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.083 0.468 . . . . 0.0 109.857 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.461 ' OE1' HD13 ' C' ' 94' ' ' LEU . 97.3 mt-10 -62.79 -42.25 99.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.498 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.499 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.4 mt -59.14 -43.17 91.99 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.41 -42.72 92.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.554 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.26 -38.58 87.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.763 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 34.2 mt -62.98 -41.04 99.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.854 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.499 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.5 m80 -59.96 -40.42 89.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.104 0.478 . . . . 0.0 109.811 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -59.61 -39.49 84.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.054 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.09 -35.96 82.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.176 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 81.4 mt -71.66 140.81 49.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.373 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -75.87 140.09 42.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.591 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.556 -179.885 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.68 -19.26 63.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' C' ' 6' ' ' GLU . 81.7 tt0 -62.04 -35.02 77.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.356 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.578 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.4 mt -37.27 -30.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.371 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' C' ' 3' ' ' GLU . 51.9 tp10 -65.13 -44.8 87.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 110.377 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.6 mt-10 -67.31 -35.46 79.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.329 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.422 HG11 HD11 ' C' ' 58' ' ' LEU . 79.0 t -64.25 -42.64 96.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.362 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.578 HG23 ' O ' ' C' ' 4' ' ' LEU . 86.0 t -60.52 -44.52 96.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.942 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.0 mtp -58.9 -42.04 88.64 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.49 97.83 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.1 -43.63 97.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.395 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.36 -44.58 99.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.689 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.38 -44.01 98.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.053 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -61.34 -46.33 90.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.839 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 69.2 m -60.04 -44.05 94.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.146 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.87 99.02 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -63.58 -43.09 97.98 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.421 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.19 -49.86 75.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.802 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.482 HH12 ' HB2' ' C' ' 87' ' ' ALA . 63.5 ttm-85 -59.99 -46.84 88.13 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -53.5 -43.2 68.07 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.85 -42.38 99.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.712 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.84 76.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.85 -44.52 94.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.545 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.69 94.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.706 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.27 -42.98 82.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.605 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.96 -45.25 95.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.429 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -56.03 -42.3 76.3 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.55 -41.55 94.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.115 0.483 . . . . 0.0 109.898 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.45 92.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.784 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.56 -29.17 69.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.075 179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -81.83 -5.14 57.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.413 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.73 16.81 64.97 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -99.08 78.12 2.23 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.708 0.29 . . . . 0.0 110.262 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -65.63 -34.58 78.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.591 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.48 -49.02 75.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.076 0.465 . . . . 0.0 110.707 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.4 81.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.464 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.57 -47.64 77.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -61.6 -45.27 94.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.603 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.02 95.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.733 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 46.5 mtp -65.16 -39.99 93.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.597 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 2.4 mmt -61.59 -41.82 97.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.594 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -63.39 -41.79 98.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.475 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -63.51 -41.0 98.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.293 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 37.7 t -61.3 -45.49 94.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -60.66 -42.07 96.3 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.387 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 36.1 tpp -61.07 -43.73 98.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.332 0.586 . . . . 0.0 110.523 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.45 98.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.291 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.421 HD21 ' CB ' ' C' ' 18' ' ' ALA . 90.6 mt -66.47 -39.75 88.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.704 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . 0.41 ' C ' ' OD1' ' C' ' 49' ' ' ASN . 50.7 t-20 -59.91 -42.93 94.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.375 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -64.65 -39.59 93.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.035 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.71 77.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.405 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.39 -39.16 89.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.301 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.72 -44.11 97.04 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.319 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.09 -43.1 92.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.046 0.451 . . . . 0.0 109.967 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.462 HE22 ' CG1' ' C' ' 59' ' ' ILE . 9.8 tm0? -59.92 -43.73 94.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.238 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.418 HG21 ' CG2' ' D' ' 356' ' ' THR . 18.5 m -57.2 -42.59 81.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.158 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -39.07 90.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.357 . . . . 0.0 110.481 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.515 HD22 HD22 ' C' ' 4' ' ' LEU . 96.0 mt -63.43 -29.5 70.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.462 ' CG1' HE22 ' C' ' 55' ' ' GLN . 96.9 mt -86.38 -31.67 6.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.858 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.523 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.7 mm-40 -79.76 -10.19 59.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.538 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.25 169.17 0.4 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.5 141.33 58.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.863 0.363 . . . . 0.0 110.553 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.57 144.32 54.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.408 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.62 165.3 42.22 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -61.09 104.1 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.559 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.72 -2.8 52.91 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -106.46 122.13 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.589 0.233 . . . . 0.0 110.617 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mmm -72.32 -157.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.542 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.703 ' HZ1' HG22 ' D' ' 352' ' ' THR . 99.2 mttt -86.31 -7.36 58.55 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.813 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.435 HG22 ' H ' ' C' ' 70' ' ' VAL . 2.7 m -93.34 110.73 23.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.667 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.471 ' O ' HG23 ' C' ' 75' ' ' VAL . 90.1 p -128.18 166.81 17.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.492 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.41 -41.41 98.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.682 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.574 HG13 HG21 ' C' ' 8' ' ' VAL . 73.8 t -64.18 -46.03 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 130.061 3.344 . . . . 0.0 110.668 -178.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.42 -40.82 93.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.09 0.471 . . . . 0.0 110.981 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.471 HG23 ' O ' ' C' ' 71' ' ' SER . 61.9 t -60.64 -47.82 91.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.17 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.454 ' OE1' ' CG1' ' B' ' 70' ' ' VAL . 80.8 tt0 -58.41 -46.0 87.31 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.305 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.66 95.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.862 0.363 . . . . 0.0 110.435 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.507 HE21 ' CG ' ' C' ' 82' ' ' MET . 47.3 tp60 -63.72 -41.69 98.04 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.264 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.486 ' O ' HG23 ' C' ' 83' ' ' THR . 45.2 tp -57.57 -46.3 84.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.503 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -67.46 -47.3 70.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.737 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.56 -45.58 93.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.748 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . 0.507 ' CG ' HE21 ' C' ' 78' ' ' GLN . 89.5 mmm -61.56 -43.86 98.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.305 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.486 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.3 p -63.03 -47.05 84.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.195 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 71.3 m -62.3 -48.64 78.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.597 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.5 ttp -58.79 -48.49 81.09 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.7 0.286 . . . . 0.0 110.526 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.94 -45.34 92.94 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.096 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . 0.482 ' HB2' HH12 ' C' ' 19' ' ' ARG . . . -59.23 -49.88 76.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.918 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -58.26 -45.5 87.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.249 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -59.84 -47.25 86.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.14 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.1 -41.45 94.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.181 0.515 . . . . 0.0 110.091 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -60.76 -42.17 91.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.347 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.1 m -58.91 -45.01 91.37 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.136 0.493 . . . . 0.0 109.957 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.17 -42.09 99.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.455 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.516 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.4 mt -59.19 -42.97 92.12 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 89.9 mt -60.68 -42.69 92.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.565 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.11 -38.67 87.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.707 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 97' ' ' LEU . 35.3 mt -62.79 -41.4 99.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.853 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.8 m80 -59.94 -40.36 88.68 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.71 -39.51 84.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.103 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.89 -35.85 82.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.251 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 81.4 mt -71.9 140.61 49.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.333 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -75.61 140.1 42.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.52 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.571 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.524 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.215 -0.724 0 CA-C-O 121.965 0.888 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.86 143.04 36.56 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.22 38.37 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.974 -1.078 . . . . 0.0 109.568 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.11 149.2 28.54 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.33 18.92 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.967 -1.083 . . . . 0.0 108.42 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.87 144.36 19.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.77 136.62 37.05 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.152 0.977 . . . . 0.0 110.113 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.99 114.3 24.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.78 -4.34 19.44 Favored 'General case' 0 C--N 1.265 -3.08 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.814 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.54 141.77 85.68 Favored Pre-proline 0 N--CA 1.5 2.049 0 O-C-N 119.644 -1.91 . . . . 0.0 110.634 178.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -45.4 -47.8 12.5 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 124.756 3.637 . . . . 0.0 114.142 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.686 HD22 ' CD2' ' C' ' 52' ' ' HIS . 11.1 m120 -102.06 27.56 6.5 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 116.029 -2.268 . . . . 0.0 108.77 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.03 -142.19 47.56 Favored Glycine 0 N--CA 1.496 2.664 0 C-N-CA 117.722 -2.18 . . . . 0.0 109.591 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' D' ' 314' ' ' LEU . 13.3 tp -88.7 72.65 8.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.849 -1.383 . . . . 0.0 109.489 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.673 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.2 p80 -64.55 176.21 1.18 Allowed 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 117.914 -1.515 . . . . 0.0 112.124 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 30.8 p -41.5 -66.2 0.36 Allowed 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 117.208 2.299 . . . . 0.0 117.208 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.463 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 5.3 tmm_? -57.21 -50.9 85.55 Favored Pre-proline 0 N--CA 1.493 1.717 0 C-N-CA 120.116 -0.633 . . . . 0.0 112.504 -177.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.3 -32.17 61.99 Favored 'Trans proline' 0 N--CA 1.484 0.95 0 C-N-CA 120.64 0.893 . . . . 0.0 111.465 -178.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.473 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.04 -38.79 86.51 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.18 -0.95 . . . . 0.0 109.502 -179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.561 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.98 -39.67 72.37 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -63.99 -39.31 93.84 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 117.91 -1.516 . . . . 0.0 109.522 177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.442 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.34 93.23 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 122.621 1.2 . . . . 0.0 108.694 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.473 HG23 ' O ' ' D' ' 319' ' ' ALA . 54.9 t -62.69 -42.22 95.28 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.612 -179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.489 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.0 mttt -63.96 -40.26 96.02 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.171 -0.955 . . . . 0.0 109.721 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.77 -39.57 80.15 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.434 -0.791 . . . . 0.0 109.641 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.04 91.98 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.615 -1.303 . . . . 0.0 109.409 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.37 -16.14 43.29 Favored 'General case' 0 N--CA 1.512 2.636 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.92 -10.6 86.1 Favored Glycine 0 N--CA 1.479 1.56 0 O-C-N 119.855 -1.778 . . . . 0.0 109.28 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.49 143.36 32.82 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.291 -1.711 . . . . 0.0 110.003 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.5 p -75.61 -30.06 59.42 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.307 -0.871 . . . . 0.0 112.333 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.72 158.52 10.12 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.81 -1.806 . . . . 0.0 112.794 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.574 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.97 130.3 35.41 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 102.828 -3.027 . . . . 0.0 102.828 171.218 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.73 136.63 60.25 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.434 0 CA-C-O 122.206 1.003 . . . . 0.0 109.25 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -125.0 143.13 51.06 Favored 'General case' 0 C--N 1.285 -2.238 0 CA-C-O 123.084 1.421 . . . . 0.0 110.005 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.1 t -108.05 129.98 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.732 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 173.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.51 119.56 26.32 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.895 -1.128 . . . . 0.0 108.954 -178.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.56 122.54 39.13 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 119.979 -0.688 . . . . 0.0 109.936 177.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.78 38.96 24.51 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.877 -1.139 . . . . 0.0 112.746 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.08 83.52 Favored Glycine 0 N--CA 1.503 3.164 0 O-C-N 119.953 -1.717 . . . . 0.0 112.511 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.85 136.28 54.54 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 105.264 -2.125 . . . . 0.0 105.264 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.5 m -124.83 158.56 33.12 Favored 'General case' 0 C--N 1.275 -2.634 0 CA-C-O 123.832 1.777 . . . . 0.0 112.384 -176.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.42 31.46 Favored 'General case' 0 C--N 1.279 -2.484 0 CA-C-N 112.413 -2.176 . . . . 0.0 108.635 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.63 135.95 48.78 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.98 -6.75 47.49 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.721 -1.237 . . . . 0.0 110.734 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.51 13.01 31.43 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 120.679 -1.263 . . . . 0.0 109.374 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.3 p -133.08 104.09 6.35 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 122.132 0.968 . . . . 0.0 110.088 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.476 HD22 ' CE ' ' A' ' 9' ' ' MET . 56.3 tp -57.2 -37.88 72.86 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.948 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -58.9 -51.44 70.03 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.574 -1.329 . . . . 0.0 113.028 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.0 -32.45 70.63 Favored 'General case' 0 C--O 1.212 -0.87 0 O-C-N 119.523 -1.985 . . . . 0.0 109.184 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.81 -33.77 75.89 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 118.956 -1.098 . . . . 0.0 109.907 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.507 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 54.8 tt0 -67.71 -10.41 52.19 Favored 'General case' 0 C--N 1.294 -1.829 0 O-C-N 121.643 -0.661 . . . . 0.0 109.934 -177.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.9 p -89.77 -7.72 53.81 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 118.138 -1.425 . . . . 0.0 110.888 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . 0.5 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.2 mt -93.4 159.33 15.3 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.187 -0.946 . . . . 0.0 110.178 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.7 104.82 2.96 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 106.962 -2.455 . . . . 0.0 106.962 177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . 0.438 ' CD2' HG11 ' D' ' 361' ' ' VAL . 84.4 mt -119.54 47.37 1.72 Allowed 'General case' 0 C--N 1.308 -1.223 0 O-C-N 120.735 -1.45 . . . . 0.0 107.386 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.756 HG22 HG21 ' C' ' 56' ' ' THR . 5.9 p -81.43 172.57 13.37 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 118.764 -1.174 . . . . 0.0 109.218 179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -60.7 140.9 57.34 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.327 -0.949 . . . . 0.0 109.867 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.39 -3.18 79.09 Favored Glycine 0 N--CA 1.5 2.954 0 C-N-CA 120.076 -1.059 . . . . 0.0 111.391 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.39 135.9 34.09 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.94 -1.329 . . . . 0.0 110.696 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.4 t -96.49 123.66 48.87 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 176.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.487 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.13 160.09 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.328 0 C-N-CA 117.425 -1.71 . . . . 0.0 110.62 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 88.9 m -108.89 128.3 54.8 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 120.587 -1.321 . . . . 0.0 107.639 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.78 121.39 60.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 105.448 -2.056 . . . . 0.0 105.448 176.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.6 147.33 50.71 Favored 'General case' 0 C--N 1.286 -2.189 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 -179.547 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.8 153.46 47.12 Favored 'General case' 0 C--N 1.293 -1.878 0 C-N-CA 118.466 -1.294 . . . . 0.0 109.699 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.524 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.21 110.79 6.42 Favored 'General case' 0 C--N 1.288 -2.105 0 C-N-CA 118.553 -1.259 . . . . 0.0 108.062 178.169 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.25 -170.36 40.18 Favored Glycine 0 C--N 1.296 -1.654 0 C-N-CA 117.99 -2.052 . . . . 0.0 110.334 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.59 82.63 Favored 'General case' 0 C--N 1.276 -2.616 0 CA-C-N 114.402 -0.899 . . . . 0.0 112.174 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.1 36.84 3.53 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 118.963 -2.336 . . . . 0.0 108.543 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.49 -33.42 65.96 Favored 'General case' 0 N--CA 1.521 3.115 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.43 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.91 -45.62 27.28 Favored 'General case' 0 N--CA 1.508 2.453 0 O-C-N 119.628 -1.92 . . . . 0.0 110.965 -176.616 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.837 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.62 -40.68 97.53 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 178.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.41 77.95 Favored 'General case' 0 N--CA 1.494 1.742 0 C-N-CA 117.486 -1.686 . . . . 0.0 110.047 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.88 -42.28 88.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 CA-C-O 122.243 1.021 . . . . 0.0 109.212 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.8 -47.96 76.23 Favored 'General case' 0 C--N 1.287 -2.148 0 CA-C-O 122.068 0.937 . . . . 0.0 108.758 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.837 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.8 -38.28 76.57 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.7 -178.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.2 mt -75.63 -28.57 58.85 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.38 -1.45 . . . . 0.0 110.865 -174.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.47 -39.56 71.14 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.42 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.76 -49.31 63.17 Favored 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.153 -1.055 . . . . 0.0 108.153 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.23 -45.25 84.05 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.523 177.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.487 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.34 -37.38 85.43 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.9 -1.125 . . . . 0.0 111.546 -177.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.73 61.61 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.092 -1.005 . . . . 0.0 110.314 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.91 -32.37 45.67 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.558 -0.714 . . . . 0.0 111.325 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.06 125.46 12.24 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 124.341 2.02 . . . . 0.0 112.879 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.814 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.1 mt-10 . . . . . 0 C--N 1.277 -2.571 0 CA-C-N 111.167 -2.742 . . . . 0.0 110.111 -177.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.17 -36.01 72.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.493 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.5 mt-10 -58.1 -76.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.492 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 8' ' ' VAL . 60.4 mt -38.07 -38.83 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.48 -179.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -64.27 -47.26 80.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.928 0.394 . . . . 0.0 110.273 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 3' ' ' GLU . 82.6 tt0 -66.91 -38.06 85.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.232 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.9 t -62.91 -42.74 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.404 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 4' ' ' LEU . 77.0 t -59.89 -45.6 94.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.933 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.476 ' CE ' HD22 ' D' ' 347' ' ' LEU . 92.5 mtp -58.86 -41.66 87.53 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.87 -42.37 97.0 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.06 -42.62 99.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 0.0 110.199 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.1 mt -62.94 -44.29 99.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.779 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.561 HD11 ' HB1' ' D' ' 320' ' ' ALA . 86.0 mt -63.46 -44.09 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.956 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -61.21 -46.63 89.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.816 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -60.28 -44.35 95.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.962 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.22 99.33 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.1 -43.28 98.92 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.02 78.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.72 -45.32 94.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.24 -45.05 80.14 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.743 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.553 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -56.82 -48.63 77.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.9 -40.24 88.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.554 178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.78 88.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.782 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.63 89.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.727 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.486 ' HG ' ' HZ3' ' A' ' 30' ' ' LYS . 55.9 tp -61.28 -45.17 95.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.434 179.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.11 -42.1 76.31 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.11 -41.4 96.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.817 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.68 -43.59 93.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.681 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HZ3' ' HG ' ' A' ' 26' ' ' LEU . 61.4 mttp -61.4 -28.72 69.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.133 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.3 -6.01 58.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.449 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.82 15.01 68.68 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.68 78.4 2.35 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.8 0.333 . . . . 0.0 110.314 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -65.99 -34.23 77.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.69 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -51.25 67.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.073 0.463 . . . . 0.0 110.765 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.38 -35.86 81.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.99 -48.38 80.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.568 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.33 -42.53 95.86 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.642 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.5 90.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 52.3 mtt -64.81 -41.45 95.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 98.9 mmm -63.27 -41.17 99.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.631 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -62.33 -46.46 88.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.94 0.4 . . . . 0.0 110.549 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -64.06 -41.03 97.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.154 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.48 -46.75 88.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.536 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.728 ' NH1' HH22 ' A' ' 88' ' ' ARG . 62.0 ttm-85 -59.63 -42.99 93.95 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.304 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.5 mmm -61.94 -42.5 99.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.225 0.536 . . . . 0.0 110.539 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.53 98.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.201 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.12 -39.26 89.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.704 179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -60.45 -43.21 97.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.222 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.15 -39.69 93.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.235 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.3 75.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -61.73 -39.13 90.48 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.365 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.9 mt -61.25 -43.99 97.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.318 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.5 t -66.19 -43.25 92.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.002 0.43 . . . . 0.0 109.964 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.9 -43.16 98.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.186 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -58.03 -42.68 85.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.067 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.71 -38.32 89.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.945 0.402 . . . . 0.0 110.555 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -65.76 -27.45 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.636 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -90.06 -32.63 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.856 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -87.21 -7.11 58.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.537 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.98 157.54 26.76 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.596 ' OD1' ' N ' ' A' ' 63' ' ' ALA . 67.6 t0 -63.19 142.59 58.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 110.6 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.596 ' N ' ' OD1' ' A' ' 62' ' ' ASP . . . -61.85 138.9 58.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.525 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.45 -147.43 5.99 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -86.19 106.84 17.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.862 0.363 . . . . 0.0 110.705 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.44 -12.05 28.74 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -109.68 121.13 44.53 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-O 120.681 0.277 . . . . 0.0 110.476 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.453 ' HG2' ' HB1' ' A' ' 63' ' ' ALA . 78.0 mtm -147.46 -127.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.625 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -73.23 -80.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.1 t -96.84 116.31 38.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.703 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 75' ' ' VAL . 96.7 p -130.45 162.93 28.07 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.0 mt -58.37 -43.49 88.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.716 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.615 HG13 HG21 ' A' ' 8' ' ' VAL . 72.2 t -64.22 -47.69 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.533 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.81 -41.18 97.94 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.045 0.45 . . . . 0.0 110.927 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 71' ' ' SER . 65.4 t -59.33 -46.98 92.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.176 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -59.65 -44.24 93.62 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.315 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.97 -44.3 89.8 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.682 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -63.51 -41.25 98.53 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.233 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' ' 83' ' ' THR . 43.7 tp -57.14 -46.66 82.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.445 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -67.49 -47.1 71.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.68 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.55 -45.34 94.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.852 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -61.47 -42.75 99.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.236 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 79' ' ' LEU . 18.8 p -64.23 -45.62 87.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.158 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.5 p -62.68 -48.53 78.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.481 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 17.4 ttm -58.63 -47.76 83.31 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.563 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.64 -44.81 96.28 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.101 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.88 82.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.825 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.728 HH22 ' NH1' ' A' ' 45' ' ' ARG . 72.9 ttp85 -58.43 -45.25 88.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.115 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' OE1' ' OH ' ' B' ' 23' ' ' TYR . 96.2 mt-10 -61.62 -44.06 97.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.082 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.05 -42.79 96.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.167 0.508 . . . . 0.0 109.853 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.553 HD12 ' HB1' ' A' ' 22' ' ' ALA . 78.2 mt -60.48 -41.53 87.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.345 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 17.7 m -57.0 -45.54 82.94 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.52 -43.57 96.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.609 179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.83 -43.4 94.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.46 -43.14 96.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.549 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -61.61 -38.35 87.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.772 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 97' ' ' LEU . 39.9 mt -62.33 -41.25 98.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.836 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -60.1 -39.28 85.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -62.51 -39.28 93.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.167 179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.577 ' NZ ' ' CD2' ' B' ' 98' ' ' HIS . 98.5 mttt -64.73 -39.79 94.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.21 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.37 -41.94 96.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.409 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -82.44 142.38 31.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.522 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.819 -1.086 . . . . 0.0 110.494 179.831 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -58.04 -36.1 72.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.3 mt-10 -57.99 -76.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.466 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.659 ' O ' HG23 ' B' ' 8' ' ' VAL . 60.3 mt -38.47 -38.41 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.447 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -64.24 -47.26 80.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.952 0.406 . . . . 0.0 110.335 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' B' ' 3' ' ' GLU . 82.3 tt0 -66.84 -38.01 85.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.251 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 70.0 t -63.16 -42.53 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.413 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.659 HG23 ' O ' ' B' ' 4' ' ' LEU . 76.3 t -60.21 -45.21 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.887 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mtp -59.19 -41.54 88.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.52 96.69 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.02 -42.58 99.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.752 0.31 . . . . 0.0 110.322 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.15 -44.21 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.702 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.31 -44.18 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.953 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -61.06 -46.91 88.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.822 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -59.85 -44.71 93.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.147 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.02 -42.32 99.67 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -62.81 -43.46 98.74 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.51 -48.83 79.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.838 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.87 -45.18 95.55 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.45 -44.87 80.92 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.2 -42.09 98.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.649 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.59 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -56.63 -48.73 76.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.432 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 20.6 m-85 -59.84 -40.16 87.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.71 179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -41.97 89.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.746 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.6 -42.5 88.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.563 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.475 ' HG ' ' HZ3' ' B' ' 30' ' ' LYS . 56.4 tp -61.5 -45.23 95.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.344 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.18 -42.02 76.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.13 -41.46 96.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.872 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.69 93.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.66 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.475 ' HZ3' ' HG ' ' B' ' 26' ' ' LEU . 61.4 mttp -61.23 -28.93 69.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.115 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -81.24 -6.2 58.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.414 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.07 14.8 68.51 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -98.69 78.32 2.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 110.257 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -65.83 -34.45 78.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.615 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.65 -51.53 66.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.033 0.444 . . . . 0.0 110.768 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.31 -35.71 81.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.416 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -49.08 77.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.58 -42.91 93.57 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.576 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.9 90.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.66 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 51.6 mtt -64.49 -41.22 96.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.612 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.556 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.7 mmm -63.58 -41.34 98.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.584 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.06 -46.82 87.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.485 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -63.71 -41.1 98.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -61.37 -46.55 89.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.446 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.718 ' NH1' HH22 ' B' ' 88' ' ' ARG . 61.9 ttm-85 -60.21 -42.64 95.58 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.296 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.88 -41.99 98.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.279 0.561 . . . . 0.0 110.634 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.98 98.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.121 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 48' ' ' LEU . 90.7 mt -66.61 -38.74 87.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.729 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -60.97 -43.36 98.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.282 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.06 -39.43 93.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.165 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.71 74.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.418 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -61.27 -39.32 89.96 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.283 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 41.2 mt -61.24 -43.88 98.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.297 -179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.7 t -66.14 -43.4 92.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.027 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -60.86 -43.07 98.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.231 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.3 m -58.12 -42.68 86.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.964 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.72 -38.21 89.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.547 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.09 -27.08 67.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -90.21 -32.74 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.806 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -87.21 -7.0 58.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.549 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.17 157.13 28.29 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.592 ' OD1' ' N ' ' B' ' 63' ' ' ALA . 67.2 t0 -62.8 142.44 58.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 0.0 110.585 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.592 ' N ' ' OD1' ' B' ' 62' ' ' ASP . . . -61.92 138.65 58.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.449 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.94 -147.93 6.17 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.776 -0.929 . . . . 0.0 110.776 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -85.79 106.7 17.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.585 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.86 -12.53 29.11 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -109.0 121.14 44.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.646 0.26 . . . . 0.0 110.5 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . 0.449 ' HG2' ' HB1' ' B' ' 63' ' ' ALA . 77.9 mtm -147.32 -127.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.638 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -73.14 -79.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.81 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 8.6 t -98.59 115.92 40.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.645 ' O ' HG23 ' B' ' 75' ' ' VAL . 92.5 p -129.7 164.92 22.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.455 -178.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.79 -43.46 98.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.563 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.593 HG13 HG21 ' B' ' 8' ' ' VAL . 64.7 t -63.21 -47.09 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -178.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.96 -40.89 97.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.042 0.449 . . . . 0.0 110.917 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 71' ' ' SER . 67.9 t -59.48 -46.95 92.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.266 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -59.67 -44.37 93.63 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.302 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.34 89.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.889 0.376 . . . . 0.0 110.485 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -63.36 -41.02 98.81 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.244 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.443 ' O ' HG23 ' B' ' 83' ' ' THR . 42.3 tp -57.53 -46.51 83.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.409 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -67.6 -47.06 70.78 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.72 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.48 -45.17 95.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.906 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.7 -43.18 99.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.216 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.443 HG23 ' O ' ' B' ' 79' ' ' LEU . 18.5 p -63.65 -45.57 89.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.119 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.51 -49.22 76.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.603 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 18.3 ttm -58.01 -48.13 80.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.479 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.51 -44.85 96.33 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.3 -47.87 82.31 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.893 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.718 HH22 ' NH1' ' B' ' 45' ' ' ARG . 73.3 ttp85 -58.51 -45.22 89.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.251 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.43 -44.15 97.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.148 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.14 -42.61 96.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.443 . . . . 0.0 109.991 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.59 HD12 ' HB1' ' B' ' 22' ' ' ALA . 78.2 mt -60.57 -41.79 89.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.188 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.556 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 18.3 m -56.65 -45.98 81.3 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.088 0.471 . . . . 0.0 109.877 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.19 -43.63 97.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.488 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 88.1 mt -59.66 -43.52 93.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.38 -43.34 96.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.555 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -61.21 -38.84 88.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.697 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 97' ' ' LEU . 39.4 mt -62.05 -41.46 98.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.842 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.577 ' CD2' ' NZ ' ' A' ' 100' ' ' LYS . 59.7 m80 -59.81 -39.5 85.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.749 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -62.4 -39.11 92.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.015 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . 0.569 ' NZ ' ' CD2' ' C' ' 98' ' ' HIS . 98.3 mttt -65.03 -39.55 93.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.19 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.32 -42.03 96.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.377 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -82.63 142.63 31.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.559 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.544 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.04 -35.92 72.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.4 mt-10 -58.14 -76.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.353 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.68 ' O ' HG23 ' C' ' 8' ' ' VAL . 60.4 mt -38.23 -38.56 0.36 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.427 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -64.55 -46.97 80.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.798 0.332 . . . . 0.0 110.388 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' C' ' 3' ' ' GLU . 83.7 tt0 -66.94 -38.12 85.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.315 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.07 -42.44 96.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.334 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.68 HG23 ' O ' ' C' ' 4' ' ' LEU . 76.9 t -60.31 -45.53 96.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.98 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -58.9 -41.48 87.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.93 -42.78 96.72 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.7 -42.56 99.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 110.338 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.2 mt -62.93 -44.35 99.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.697 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 87.9 mt -63.24 -44.19 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.011 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -61.12 -46.93 88.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.86 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 77.9 p -59.74 -44.82 93.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.154 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.71 -42.82 99.63 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.83 -43.06 99.79 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.68 -48.87 79.63 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -60.92 -45.35 95.01 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.6 t -56.49 -44.78 80.98 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.96 -41.98 98.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.703 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.564 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -56.99 -48.75 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -59.71 -39.94 86.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.529 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.95 90.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.4 88.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.635 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.51 -45.46 94.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.431 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -56.1 -41.8 75.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.32 -41.48 97.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.93 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.75 92.15 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.867 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -61.59 -28.63 69.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.052 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -81.15 -6.04 58.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.95 14.78 68.84 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -98.6 78.01 2.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 0.0 110.289 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -65.55 -34.57 78.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.525 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.95 -51.45 66.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.071 0.463 . . . . 0.0 110.702 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.74 81.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.327 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.69 78.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.457 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.6 -42.98 93.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.603 -0.272 . . . . 0.0 110.517 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.77 -40.92 89.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.753 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 51.7 mtt -64.57 -41.26 96.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.555 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 98.8 mmm -63.54 -41.57 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.567 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -61.82 -47.37 85.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.406 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -62.97 -41.48 99.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.259 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.22 -46.14 91.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.728 ' NH1' HH22 ' C' ' 88' ' ' ARG . 61.8 ttm-85 -60.64 -42.56 97.16 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.35 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.83 -42.41 99.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.352 0.596 . . . . 0.0 110.591 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.65 98.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.271 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' C' ' 48' ' ' LEU . 90.7 mt -65.9 -39.4 90.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.726 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -60.63 -43.49 97.45 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.377 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.68 -39.59 93.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.013 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.82 -45.63 74.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.438 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.686 ' CD2' HD22 ' D' ' 312' ' ' ASN . 84.5 t60 -61.26 -39.1 89.09 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.324 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.62 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.276 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.92 -43.55 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.029 0.442 . . . . 0.0 110.01 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -60.96 -43.13 99.19 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.309 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.756 HG21 HG22 ' D' ' 356' ' ' THR . 17.7 m -57.74 -42.84 84.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.154 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.71 -38.12 89.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.507 179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.96 -27.09 67.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -90.24 -32.77 5.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.507 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 73.3 mm-40 -87.29 -6.82 58.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.494 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.23 157.14 28.54 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.593 ' OD1' ' N ' ' C' ' 63' ' ' ALA . 67.0 t0 -63.03 142.63 58.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.916 0.389 . . . . 0.0 110.536 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.593 ' N ' ' OD1' ' C' ' 62' ' ' ASP . . . -61.82 138.62 58.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.475 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.91 -147.56 6.1 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -86.18 106.98 17.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.841 0.353 . . . . 0.0 110.611 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.43 -12.49 26.57 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -108.91 121.13 44.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.649 0.262 . . . . 0.0 110.58 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . 0.456 ' HG2' ' HB1' ' C' ' 63' ' ' ALA . 77.9 mtm -147.59 -127.13 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.589 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.44 ' HB3' HE22 ' D' ' 351' ' ' GLN . 64.9 mttp -73.42 -80.11 0.07 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 9.1 t -98.21 115.5 38.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.721 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.65 ' O ' HG23 ' C' ' 75' ' ' VAL . 91.7 p -128.68 167.01 17.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.437 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' C' ' 72' ' ' LEU . 79.9 mt -62.35 -42.83 99.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.669 -177.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.586 HG13 HG21 ' C' ' 8' ' ' VAL . 59.8 t -64.38 -47.26 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 130.05 3.34 . . . . 0.0 110.647 -178.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.23 -40.6 90.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.65 HG23 ' O ' ' C' ' 71' ' ' SER . 70.3 t -59.74 -47.43 91.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.212 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -59.82 -44.29 94.1 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.303 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.06 -44.4 89.11 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.796 0.331 . . . . 0.0 110.422 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.13 -41.3 99.29 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.256 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.429 ' O ' HG23 ' C' ' 83' ' ' THR . 42.6 tp -57.19 -46.7 82.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.584 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -67.5 -46.98 71.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.768 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.41 -45.58 93.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.795 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -61.39 -42.88 99.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.341 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.429 HG23 ' O ' ' C' ' 79' ' ' LEU . 18.8 p -64.23 -45.1 89.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.213 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -62.99 -48.53 78.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.6 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 18.3 ttm -58.44 -48.04 82.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.471 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.6 -44.81 96.32 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.169 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.88 82.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.928 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.728 HH22 ' NH1' ' C' ' 45' ' ' ARG . 73.1 ttp85 -58.57 -45.01 89.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.24 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.48 -44.33 97.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.189 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.0 -42.65 97.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.201 0.525 . . . . 0.0 110.043 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.564 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.1 mt -60.53 -41.71 88.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.374 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.555 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 18.3 m -56.78 -45.77 81.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.08 0.467 . . . . 0.0 109.981 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.47 -43.2 98.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.575 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.03 -43.4 95.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.4 mt -61.46 -43.16 96.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.557 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -61.21 -38.76 87.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.797 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 97' ' ' LEU . 39.8 mt -62.02 -41.78 98.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.921 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.569 ' CD2' ' NZ ' ' B' ' 100' ' ' LYS . 60.6 m80 -59.47 -39.86 85.03 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.801 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.23 -39.03 91.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.096 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.83 -39.92 94.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.205 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 85.6 mt -64.13 -42.21 96.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.319 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -82.34 142.61 31.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.478 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.583 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.524 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 121.893 0.854 . . . . 0.0 108.951 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.79 142.98 36.68 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.479 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.94 156.28 38.59 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.005 -1.059 . . . . 0.0 109.516 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.07 149.25 28.62 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.23 152.24 19.04 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.021 -1.049 . . . . 0.0 108.393 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.81 144.36 19.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.1 m -96.66 136.6 36.96 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 122.178 0.99 . . . . 0.0 110.137 177.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.5 mt -85.0 114.32 24.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.86 -4.2 19.48 Favored 'General case' 0 C--N 1.267 -3.016 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.816 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.77 85.64 Favored Pre-proline 0 N--CA 1.499 1.994 0 O-C-N 119.707 -1.871 . . . . 0.0 110.683 178.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -45.46 -47.64 12.85 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 124.772 3.648 . . . . 0.0 114.163 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -102.13 27.54 6.57 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 116.062 -2.255 . . . . 0.0 108.815 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 61.04 -142.08 48.39 Favored Glycine 0 N--CA 1.497 2.732 0 C-N-CA 117.688 -2.196 . . . . 0.0 109.608 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.6 tp -90.08 68.07 7.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.934 -1.333 . . . . 0.0 109.494 -177.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.692 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.3 p80 -58.33 176.91 0.15 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 117.851 -1.54 . . . . 0.0 112.152 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 3.0 p -44.06 -65.44 0.51 Allowed 'General case' 0 N--CA 1.505 2.317 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 -176.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.486 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.3 tmt_? -56.16 -51.11 83.31 Favored Pre-proline 0 N--CA 1.493 1.711 0 C-N-CA 120.185 -0.606 . . . . 0.0 112.457 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.14 -32.2 63.74 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 120.584 0.856 . . . . 0.0 111.543 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.47 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.98 -38.88 86.86 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.176 -0.953 . . . . 0.0 109.486 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.477 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.94 -39.64 72.53 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -64.0 -39.41 94.05 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 118.024 -1.471 . . . . 0.0 109.476 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.67 -45.35 93.22 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.584 1.183 . . . . 0.0 108.677 -177.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.47 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.3 t -62.68 -42.18 95.11 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.257 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.68 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.91 -40.26 96.08 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.308 -0.87 . . . . 0.0 109.779 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.71 80.3 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.429 -0.794 . . . . 0.0 109.623 177.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.1 -44.02 91.9 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.588 -1.32 . . . . 0.0 109.382 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.3 -16.17 42.98 Favored 'General case' 0 N--CA 1.512 2.632 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.99 -10.48 86.23 Favored Glycine 0 N--CA 1.479 1.512 0 O-C-N 119.926 -1.734 . . . . 0.0 109.34 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.53 143.31 32.89 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.323 -1.693 . . . . 0.0 110.0 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.1 p -75.52 -30.16 59.7 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.154 -0.966 . . . . 0.0 112.303 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.84 158.57 10.32 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 119.826 -1.796 . . . . 0.0 112.789 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.26 35.44 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 102.853 -3.018 . . . . 0.0 102.853 171.265 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.77 136.63 60.26 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.43 0 CA-C-O 122.216 1.007 . . . . 0.0 109.258 -178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.97 143.22 51.0 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-O 123.1 1.429 . . . . 0.0 109.984 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.08 129.98 61.37 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.731 0 N-CA-C 105.524 -2.028 . . . . 0.0 105.524 173.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.9 m -127.47 119.55 26.34 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.887 -1.133 . . . . 0.0 108.979 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.52 122.73 39.6 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.525 -0.734 . . . . 0.0 109.907 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.64 39.01 24.16 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.879 -1.138 . . . . 0.0 112.764 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.64 10.99 83.6 Favored Glycine 0 N--CA 1.502 3.044 0 O-C-N 119.956 -1.715 . . . . 0.0 112.533 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.82 136.3 54.53 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 105.256 -2.127 . . . . 0.0 105.256 177.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.3 m -124.79 158.57 33.02 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-O 123.784 1.754 . . . . 0.0 112.458 -176.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.37 31.32 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 112.49 -2.141 . . . . 0.0 108.572 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.6 136.02 48.88 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.445 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.73 47.45 Favored 'General case' 0 C--N 1.296 -1.725 0 O-C-N 120.705 -1.247 . . . . 0.0 110.735 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.63 12.99 31.71 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 120.651 -1.281 . . . . 0.0 109.364 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 35.1 t -133.06 104.15 6.38 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 122.241 1.019 . . . . 0.0 110.167 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 52.9 tp -57.21 -37.91 72.91 Favored 'General case' 0 C--N 1.293 -1.886 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.952 178.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -58.9 -51.36 70.36 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.618 -1.301 . . . . 0.0 113.039 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.11 -32.37 70.37 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.512 -1.992 . . . . 0.0 109.254 -178.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.3 mt -62.8 -33.78 75.91 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 118.964 -1.094 . . . . 0.0 109.989 -177.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.562 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 68.8 tp60 -67.59 -10.48 52.35 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.697 -0.627 . . . . 0.0 109.96 -177.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.7 p -89.87 -7.63 53.79 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 118.124 -1.43 . . . . 0.0 110.849 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . 0.499 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.9 mt -93.43 159.32 15.3 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.185 -0.947 . . . . 0.0 110.157 -178.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.85 2.97 Favored Glycine 0 N--CA 1.484 1.865 0 N-CA-C 106.923 -2.471 . . . . 0.0 106.923 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 85.3 mt -119.64 47.39 1.73 Allowed 'General case' 0 C--N 1.309 -1.163 0 O-C-N 120.694 -1.474 . . . . 0.0 107.431 -178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 68.8 p -81.42 172.57 13.38 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.758 -1.177 . . . . 0.0 109.305 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -60.68 140.92 57.3 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.372 -0.931 . . . . 0.0 109.844 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.38 -3.1 79.08 Favored Glycine 0 N--CA 1.501 3.014 0 C-N-CA 120.007 -1.092 . . . . 0.0 111.329 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.5 135.93 34.03 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.924 -1.339 . . . . 0.0 110.597 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.8 t -96.56 123.68 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 106.365 -1.717 . . . . 0.0 106.365 176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.4 m -112.1 160.08 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.36 0 C-N-CA 117.417 -1.713 . . . . 0.0 110.602 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.7 m -108.91 128.38 54.87 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.491 -1.38 . . . . 0.0 107.631 175.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.88 121.41 60.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.25 50.72 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -179.579 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.38 47.18 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 118.473 -1.291 . . . . 0.0 109.696 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.524 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.83 6.45 Favored 'General case' 0 C--N 1.288 -2.076 0 C-N-CA 118.565 -1.254 . . . . 0.0 108.013 178.133 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.23 40.14 Favored Glycine 0 C--N 1.296 -1.643 0 C-N-CA 118.014 -2.041 . . . . 0.0 110.353 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.45 -40.62 83.1 Favored 'General case' 0 C--N 1.275 -2.647 0 CA-C-N 114.361 -0.92 . . . . 0.0 112.155 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.07 36.84 3.53 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 115.895 -2.322 . . . . 0.0 108.586 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.43 -33.48 65.88 Favored 'General case' 0 N--CA 1.521 3.12 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 -174.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.43 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.92 -45.6 27.28 Favored 'General case' 0 N--CA 1.509 2.504 0 O-C-N 119.545 -1.972 . . . . 0.0 110.982 -176.569 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.841 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.52 -40.73 97.8 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.52 77.56 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 117.481 -1.688 . . . . 0.0 110.001 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 65.9 t -66.88 -42.17 88.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.234 1.016 . . . . 0.0 109.268 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.94 -47.86 76.81 Favored 'General case' 0 C--N 1.286 -2.166 0 CA-C-O 122.1 0.953 . . . . 0.0 108.783 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.841 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.85 -38.22 76.4 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.747 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.3 mt -75.65 -28.61 58.81 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.372 -1.455 . . . . 0.0 110.899 -174.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.31 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.407 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.31 62.73 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.2 -45.15 84.04 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 118.987 -1.085 . . . . 0.0 110.605 177.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.41 -37.38 85.56 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.835 -1.166 . . . . 0.0 111.521 -177.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.86 61.67 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.155 -0.965 . . . . 0.0 110.28 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.8 -32.33 46.3 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.554 -0.716 . . . . 0.0 111.401 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.97 125.43 12.01 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.31 2.005 . . . . 0.0 112.879 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.816 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.1 tt0 . . . . . 0 C--N 1.278 -2.532 0 CA-C-N 111.141 -2.754 . . . . 0.0 110.097 -177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.74 -36.12 71.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 6' ' ' GLU . 84.7 tt0 -62.15 -71.25 0.16 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.404 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.644 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.0 mt -38.03 -38.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.434 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.52 -47.36 79.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.919 0.39 . . . . 0.0 110.315 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.4 mt-10 -67.06 -36.57 82.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.231 179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.41 HG11 HD11 ' A' ' 58' ' ' LEU . 71.2 t -64.07 -42.01 94.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.365 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 4' ' ' LEU . 75.4 t -60.37 -45.12 97.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.952 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.3 mtp -58.83 -41.15 86.2 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.87 -41.54 97.41 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.294 -1.122 . . . . 0.0 110.294 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -62.96 -43.51 98.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.34 . . . . 0.0 110.212 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.08 -44.23 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.843 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.477 HD11 ' HB1' ' D' ' 320' ' ' ALA . 87.0 mt -63.81 -44.39 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.001 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.436 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 48.6 t-20 -61.74 -46.59 88.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.756 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.421 ' HG ' ' CB ' ' A' ' 84' ' ' SER . 37.1 t -60.1 -44.42 94.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.016 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.05 -42.4 99.61 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.054 -1.219 . . . . 0.0 110.054 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.89 -42.29 97.52 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.46 -49.53 76.99 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.27 -46.22 90.58 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.4 m -54.24 -44.04 71.4 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.5 -42.71 98.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.677 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.53 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -58.64 -49.69 76.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.43 -41.9 90.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.598 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.4 90.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.776 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.3 89.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.702 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.65 -45.5 93.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.483 178.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.51 -41.57 73.29 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.07 -42.02 97.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.838 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.489 ' O ' ' NZ ' ' A' ' 102' ' ' LYS . . . -59.46 -43.71 93.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.705 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.71 -29.6 69.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.22 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -83.21 -4.94 58.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.458 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.73 16.16 77.97 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.65 81.28 3.49 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.755 0.312 . . . . 0.0 110.312 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -63.65 -34.8 78.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.71 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.982 0.42 . . . . 0.0 110.706 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.57 -35.84 81.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.87 77.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.627 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -60.32 -43.36 96.44 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.662 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.84 98.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.792 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.3 mtt -65.79 -40.46 91.97 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.483 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.553 ' CE ' HG23 ' A' ' 92' ' ' THR . 83.6 mtp -61.3 -43.98 97.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.604 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.38 -43.55 98.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.007 0.432 . . . . 0.0 110.534 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.17 -42.86 96.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.25 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.9 m -60.7 -48.05 83.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.59 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -59.95 -43.37 95.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.329 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.0 mmm -61.33 -42.57 98.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.125 0.488 . . . . 0.0 110.524 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.35 96.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.25 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.629 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 90.0 mt -65.21 -39.97 93.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.641 179.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -61.43 -41.81 97.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.249 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -64.61 -39.54 93.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.136 179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.544 ' HB1' HD21 ' A' ' 81' ' ' LEU . . . -67.02 -45.69 76.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.462 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.557 ' O ' HG23 ' A' ' 56' ' ' THR . 85.0 t60 -61.17 -39.4 90.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.36 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.478 ' O ' ' OG1' ' A' ' 56' ' ' THR . 41.1 mt -60.41 -43.46 96.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.331 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.58 -42.9 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.065 0.46 . . . . 0.0 110.05 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.418 ' OE1' HD13 ' A' ' 81' ' ' LEU . 42.5 tt0 -59.48 -44.98 92.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.251 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 52' ' ' HIS . 39.9 p -57.51 -40.48 78.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.068 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.97 -40.9 95.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.504 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.41 HD11 HG11 ' A' ' 7' ' ' VAL . 94.9 mt -65.42 -30.44 71.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.628 -179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.6 mt -84.98 -32.64 7.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -84.03 -9.23 58.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.517 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.62 164.73 34.01 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -82.36 115.63 21.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.786 0.327 . . . . 0.0 110.601 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.27 140.5 58.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.488 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.487 ' H ' ' HD2' ' A' ' 67' ' ' LYS . . . -83.94 -172.91 49.4 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.28 124.14 21.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.906 0.384 . . . . 0.0 110.707 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.82 -11.51 69.65 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.487 ' HD2' ' H ' ' A' ' 64' ' ' GLY . 99.3 mttt -96.08 143.36 27.29 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.743 0.306 . . . . 0.0 110.395 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.2 mtp -119.85 -162.35 0.92 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.581 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -61.2 -43.54 98.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 p -114.33 136.96 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.669 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.613 ' O ' HG23 ' A' ' 75' ' ' VAL . 77.7 p -130.26 162.35 29.15 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -58.54 -42.85 88.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.61 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.621 HG13 HG21 ' A' ' 8' ' ' VAL . 63.5 t -63.12 -48.2 88.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.634 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.75 -40.88 98.63 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 71' ' ' SER . 76.8 t -59.86 -47.61 90.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.148 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -58.62 -46.07 87.85 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.261 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.47 94.11 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.795 0.331 . . . . 0.0 110.681 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.5 -40.24 96.56 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.159 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 83' ' ' THR . 54.3 tp -58.66 -47.13 85.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.413 -179.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -68.44 -48.55 64.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.789 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.544 HD21 ' HB1' ' A' ' 51' ' ' ALA . 14.7 mt -62.13 -45.38 93.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.819 -178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.35 -44.43 97.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.159 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.6 p -62.03 -45.84 91.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.081 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.421 ' CB ' ' HG ' ' A' ' 15' ' ' SER . 72.7 m -62.37 -47.52 83.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.392 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.75 -48.01 82.67 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.64 0.257 . . . . 0.0 110.53 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.56 -44.81 96.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.87 0.367 . . . . 0.0 110.127 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.87 -46.74 87.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.85 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.629 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 8.8 tmm_? -58.45 -45.55 88.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.078 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.13 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.053 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.72 -42.95 97.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.238 0.542 . . . . 0.0 109.878 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.53 HD12 ' HB1' ' A' ' 22' ' ' ALA . 77.7 mt -60.11 -41.2 85.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.304 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.553 HG23 ' CE ' ' A' ' 41' ' ' MET . 67.1 m -57.31 -45.81 83.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.007 0.432 . . . . 0.0 109.883 179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.61 -43.68 96.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.538 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.548 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 88.2 mt -59.67 -43.11 94.09 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.32 -42.86 95.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.594 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.16 -40.78 91.1 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 97' ' ' LEU . 88.3 mt -63.17 -42.31 99.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.908 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.548 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.3 m80 -59.21 -41.99 89.88 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.507 ' O ' ' O ' ' A' ' 102' ' ' LYS . 81.7 tt0 -61.46 -40.88 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.171 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -65.64 -37.58 86.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.219 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 37.6 mt -64.55 -42.81 95.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.402 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.507 ' O ' ' O ' ' A' ' 99' ' ' GLU . 54.0 mtmt -94.73 142.52 27.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.536 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.544 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.99 -36.26 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 6' ' ' GLU . 84.7 tt0 -61.75 -71.22 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.049 0.452 . . . . 0.0 110.439 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.63 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.1 mt -38.25 -38.79 0.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.512 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.69 -46.93 80.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.882 0.372 . . . . 0.0 110.329 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.5 mt-10 -67.33 -36.4 81.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.169 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.3 -42.07 94.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.63 HG23 ' O ' ' B' ' 4' ' ' LEU . 76.3 t -60.16 -44.99 96.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.91 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.03 -41.57 88.11 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.46 -41.72 97.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.74 -43.56 98.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.757 0.313 . . . . 0.0 110.34 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.31 -44.04 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.664 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.85 -44.61 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.918 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 49.6 t-20 -61.64 -46.74 88.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.833 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.3 t -59.91 -44.58 94.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.135 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.76 -42.44 99.69 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.8 -42.4 97.72 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -49.56 76.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.888 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.38 -45.97 91.64 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.2 m -54.51 -44.0 72.33 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.43 -42.92 98.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.72 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -58.6 -49.71 76.46 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.3 -42.0 90.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.677 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.62 90.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.715 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -42.48 89.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.635 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.32 -45.66 93.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.321 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.59 -41.48 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.551 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.16 -41.97 97.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.903 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.478 ' O ' ' NZ ' ' B' ' 102' ' ' LYS . . . -59.44 -43.65 93.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.706 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.73 -30.0 69.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.01 179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -83.08 -4.93 58.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.32 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.9 16.11 77.74 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -95.55 81.5 3.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.32 . . . . 0.0 110.303 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -64.07 -34.49 78.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.627 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -47.8 82.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 110.793 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.43 -35.77 81.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.44 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.96 77.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.509 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.18 -43.31 95.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.573 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.87 98.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.724 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 60.6 mtt -65.93 -40.41 91.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.464 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.595 ' HE1' HG23 ' B' ' 92' ' ' THR . 83.3 mtp -61.26 -44.06 97.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.603 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.41 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.445 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -64.24 -43.15 95.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.306 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 68.3 m -60.54 -47.83 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.541 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -60.27 -43.21 96.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.343 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.2 mmm -61.19 -42.48 98.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.309 0.576 . . . . 0.0 110.665 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.56 -42.61 95.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.179 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.625 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 89.4 mt -64.97 -40.25 94.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.77 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -61.0 -41.96 97.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.36 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -64.71 -39.46 93.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.132 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.533 ' HB1' HD21 ' B' ' 81' ' ' LEU . . . -66.89 -45.88 76.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.444 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . 0.564 ' O ' HG23 ' B' ' 56' ' ' THR . 85.2 t60 -61.14 -39.18 89.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.332 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.481 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.7 mt -60.68 -43.23 97.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.314 -179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.7 -43.09 93.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.034 0.445 . . . . 0.0 110.022 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.414 ' OE1' HD13 ' B' ' 81' ' ' LEU . 42.1 tt0 -59.38 -44.82 92.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.209 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.564 HG23 ' O ' ' B' ' 52' ' ' HIS . 40.2 p -57.63 -40.83 80.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.005 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.72 -41.16 96.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.858 0.361 . . . . 0.0 110.514 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.77 -31.26 72.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.709 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 84.3 mt -84.36 -32.74 8.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.769 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -84.22 -9.03 58.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.544 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.86 164.76 34.91 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -82.57 115.62 21.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.0 110.594 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.31 140.48 58.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.474 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.503 ' H ' ' HD2' ' B' ' 67' ' ' LYS . . . -83.93 -173.33 49.7 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.89 124.27 22.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.579 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.86 -11.4 69.73 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.503 ' HD2' ' H ' ' B' ' 64' ' ' GLY . 99.1 mttt -96.11 143.51 27.17 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.651 0.262 . . . . 0.0 110.463 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 99.4 mtp -120.13 -162.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.703 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.24 -43.42 98.9 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.791 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -115.07 136.09 52.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.821 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.609 ' O ' HG23 ' B' ' 75' ' ' VAL . 57.8 p -129.34 164.1 24.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 -178.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.78 -42.93 98.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.551 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.618 HG13 HG21 ' B' ' 8' ' ' VAL . 57.5 t -61.92 -47.23 94.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.601 -178.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.51 -40.45 97.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.083 0.468 . . . . 0.0 110.964 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 71' ' ' SER . 71.6 t -60.02 -47.26 92.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.251 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -59.33 -45.96 89.92 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.264 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.76 94.48 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.896 0.379 . . . . 0.0 110.4 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -63.3 -40.76 98.24 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.171 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.548 ' O ' HG23 ' B' ' 83' ' ' THR . 53.0 tp -58.36 -46.75 85.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.39 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -68.85 -48.59 63.08 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.739 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.533 HD21 ' HB1' ' B' ' 51' ' ' ALA . 15.1 mt -62.06 -45.24 94.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -178.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.36 -44.35 97.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.194 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.548 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.6 p -62.21 -45.61 92.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.156 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 72.4 m -62.3 -47.96 81.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 64.9 ttp -58.38 -48.16 81.53 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.459 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.51 -44.85 96.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.121 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -46.3 88.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.843 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.625 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 8.8 tmm_? -59.0 -45.35 90.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.266 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.08 -43.51 98.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.189 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.8 -42.79 97.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.056 0.455 . . . . 0.0 110.025 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.493 HD12 ' HB1' ' B' ' 22' ' ' ALA . 74.7 mt -59.91 -41.82 87.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.207 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.595 HG23 ' HE1' ' B' ' 41' ' ' MET . 70.8 m -56.8 -45.86 81.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.058 0.456 . . . . 0.0 109.887 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.38 -44.09 95.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.493 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.529 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 88.7 mt -59.32 -43.43 92.67 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.11 -43.04 95.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.543 179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -59.78 -41.05 90.28 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.02 -42.72 99.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.158 -0.473 . . . . 0.0 109.792 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 65.0 m80 -58.77 -41.89 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.505 ' O ' ' O ' ' B' ' 102' ' ' LYS . 82.3 tt0 -61.51 -41.06 96.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.114 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -65.57 -37.81 87.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.22 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 37.1 mt -64.22 -42.82 96.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.425 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.505 ' O ' ' O ' ' B' ' 99' ' ' GLU . 53.7 mtmt -94.91 142.7 27.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.55 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.547 179.874 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -57.78 -36.16 71.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.577 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' C' ' 6' ' ' GLU . 84.6 tt0 -62.18 -71.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.346 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.654 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.6 mt -38.3 -38.6 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.407 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.66 -47.13 79.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 0.0 110.425 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.5 mt-10 -67.04 -36.93 83.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.314 179.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.48 -42.3 95.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.355 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.654 HG23 ' O ' ' C' ' 4' ' ' LEU . 76.1 t -60.34 -44.92 96.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.972 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.2 mtp -59.03 -41.49 87.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.55 -41.69 97.77 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.69 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.396 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.27 -44.07 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.753 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.76 -44.49 98.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.065 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.443 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 49.4 t-20 -61.71 -46.79 88.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.736 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 39.7 t -59.88 -44.25 94.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.17 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.17 -42.6 99.39 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -63.68 -42.15 98.07 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.26 -49.77 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.42 -46.15 91.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 69.4 m -54.44 -44.14 72.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.16 -42.71 99.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.673 178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.511 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -58.88 -49.74 76.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.35 -41.96 90.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.541 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.63 -41.47 90.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.695 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.0 88.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.607 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.03 -45.36 93.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.427 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.7 -41.55 73.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.14 -41.89 97.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.868 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.48 ' O ' ' NZ ' ' C' ' 102' ' ' LYS . . . -59.56 -43.37 93.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.774 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.16 -29.57 69.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.088 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -83.18 -5.08 59.0 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.428 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.14 16.21 77.08 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.07 81.42 3.37 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.877 0.37 . . . . 0.0 110.256 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.84 -34.69 78.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.509 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -47.94 81.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.048 0.451 . . . . 0.0 110.72 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.99 81.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.365 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.7 -49.12 76.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.493 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -60.01 -43.42 95.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.541 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.88 -44.08 97.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.728 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 59.9 mtt -65.54 -40.69 93.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.563 ' CE ' HG23 ' C' ' 92' ' ' THR . 84.0 mtp -61.19 -44.07 97.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.628 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.44 -43.62 98.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.456 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.88 -43.05 97.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.4 m -60.76 -47.58 85.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.548 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -60.27 -43.29 96.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.405 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.3 -42.61 98.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.366 0.603 . . . . 0.0 110.55 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -42.85 97.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.315 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.618 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 90.1 mt -64.98 -40.65 95.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.769 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -60.81 -41.68 96.16 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.354 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -64.55 -39.97 94.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.995 0.426 . . . . 0.0 110.011 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.541 ' HB1' HD21 ' C' ' 81' ' ' LEU . . . -66.67 -46.33 76.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.351 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.57 ' O ' HG23 ' C' ' 56' ' ' THR . 85.1 t60 -60.51 -39.2 86.92 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.359 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' C' ' 56' ' ' THR . 39.9 mt -60.91 -43.05 99.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.297 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.81 -42.96 93.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.062 0.458 . . . . 0.0 110.011 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.423 ' OE1' HD13 ' C' ' 81' ' ' LEU . 42.3 tt0 -59.55 -44.91 93.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.217 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.57 HG23 ' O ' ' C' ' 52' ' ' HIS . 40.6 p -57.48 -40.47 78.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.131 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.08 -41.08 95.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.887 0.375 . . . . 0.0 110.435 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' C' ' 58' ' ' LEU . 95.3 mt -64.94 -30.91 71.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.795 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 83.0 mt -84.56 -32.81 8.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.796 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.562 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.8 mm-40 -83.96 -9.2 58.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.486 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.86 165.35 33.9 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -82.83 116.02 21.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.865 0.365 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.83 140.14 57.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.453 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . 0.495 ' H ' ' HD2' ' C' ' 67' ' ' LYS . . . -83.63 -173.35 49.67 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.79 124.38 22.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 110.585 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.69 -11.43 69.91 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.495 ' HD2' ' H ' ' C' ' 64' ' ' GLY . 99.1 mttt -96.17 143.39 27.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.598 0.237 . . . . 0.0 110.559 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 99.3 mtp -120.11 -162.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.587 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -61.18 -43.43 98.89 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -114.67 135.65 53.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.716 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.607 ' O ' HG23 ' C' ' 75' ' ' VAL . 54.0 p -127.93 166.21 18.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.475 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.41 -42.19 99.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.622 -177.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.57 HG13 HG21 ' C' ' 8' ' ' VAL . 53.8 t -63.22 -47.5 91.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 130.151 3.381 . . . . 0.0 110.593 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 88.1 mt -65.54 -40.34 92.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.081 0.467 . . . . 0.0 110.99 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.607 HG23 ' O ' ' C' ' 71' ' ' SER . 74.2 t -60.3 -47.54 91.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.22 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.35 -46.05 89.7 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.32 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.84 94.04 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.896 0.379 . . . . 0.0 110.414 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.15 -40.64 98.17 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.331 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.56 ' O ' HG23 ' C' ' 83' ' ' THR . 51.4 tp -58.26 -47.15 84.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.485 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -68.56 -48.88 63.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.734 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . 0.541 HD21 ' HB1' ' C' ' 51' ' ' ALA . 15.0 mt -61.73 -45.2 94.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.837 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.41 -44.47 97.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.335 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.56 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.8 p -62.11 -45.73 92.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.204 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 72.8 m -62.2 -47.86 82.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.539 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.39 -48.12 81.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.687 0.279 . . . . 0.0 110.488 -179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.57 -44.74 96.46 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.195 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.8 -46.35 87.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.968 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.618 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 8.8 tmm_? -59.11 -45.15 91.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.287 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.22 -43.3 99.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.156 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.08 -42.57 96.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.193 0.52 . . . . 0.0 109.973 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.511 HD12 ' HB1' ' C' ' 22' ' ' ALA . 75.9 mt -60.28 -41.36 86.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.353 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.563 HG23 ' CE ' ' C' ' 41' ' ' MET . 75.4 m -56.9 -45.71 82.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.102 0.477 . . . . 0.0 109.963 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.93 -43.77 94.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.456 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.569 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 89.3 mt -59.41 -43.07 93.08 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 85.6 mt -61.62 -42.7 95.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.613 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -59.96 -40.93 90.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.147 0.499 . . . . 0.0 109.74 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.05 -42.55 99.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.863 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 65.4 m80 -58.99 -41.89 88.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.733 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' C' ' 102' ' ' LYS . 82.7 tt0 -61.6 -40.82 96.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.124 179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -65.67 -37.59 86.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.224 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.54 -42.75 95.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.344 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.508 ' O ' ' O ' ' C' ' 99' ' ' GLU . 53.9 mtmt -94.94 142.75 27.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.448 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.487 179.789 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.529 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 121.859 0.838 . . . . 0.0 108.925 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.8 143.0 36.65 Favored 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.35 38.68 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.007 -1.058 . . . . 0.0 109.556 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.13 149.17 28.5 Favored 'General case' 0 C--N 1.293 -1.867 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.22 152.38 18.9 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.114 -0.991 . . . . 0.0 108.41 178.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.9 144.28 19.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.725 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 177.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.8 m -96.65 136.62 36.92 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-O 122.132 0.967 . . . . 0.0 110.125 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.98 114.32 24.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 105.372 -2.085 . . . . 0.0 105.372 177.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.82 -4.34 19.39 Favored 'General case' 0 C--N 1.264 -3.117 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.813 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.47 141.86 85.94 Favored Pre-proline 0 N--CA 1.499 2.015 0 O-C-N 119.692 -1.88 . . . . 0.0 110.619 178.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.5 -47.68 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.747 3.631 . . . . 0.0 114.174 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.487 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.4 m-20 -102.16 27.62 6.51 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 116.038 -2.265 . . . . 0.0 108.743 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 58.9 -146.74 41.98 Favored Glycine 0 N--CA 1.496 2.694 0 C-N-CA 117.719 -2.182 . . . . 0.0 109.613 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.6 tp -87.43 79.56 8.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.902 -1.352 . . . . 0.0 109.517 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.417 ' CE1' ' H ' ' D' ' 317' ' ' ARG . 2.5 p80 -76.25 177.25 7.38 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 117.883 -1.527 . . . . 0.0 112.159 -178.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 6.6 p -36.14 -69.06 0.11 Allowed 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -176.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.498 ' N ' ' OG1' ' D' ' 316' ' ' THR . 7.3 tmm_? -56.18 -52.79 70.1 Favored Pre-proline 0 N--CA 1.493 1.699 0 C-N-CA 120.127 -0.629 . . . . 0.0 112.514 -177.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.42 -32.26 60.64 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 120.768 0.979 . . . . 0.0 111.486 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.506 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.75 86.68 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 119.434 -0.906 . . . . 0.0 109.585 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.525 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.91 -39.78 72.52 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -63.89 -39.41 94.12 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 117.924 -1.511 . . . . 0.0 109.543 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.442 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.61 -45.32 93.43 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 122.674 1.226 . . . . 0.0 108.762 -177.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.617 ' CG1' ' NZ ' ' D' ' 327' ' ' LYS . 67.3 t -62.67 -42.22 95.25 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.223 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.633 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.538 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.4 mttt -63.98 -40.18 95.81 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.217 -0.927 . . . . 0.0 109.764 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.73 -39.73 80.23 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.432 -0.793 . . . . 0.0 109.624 177.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.0 91.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.649 -1.282 . . . . 0.0 109.468 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . 0.617 ' NZ ' ' CG1' ' D' ' 323' ' ' VAL . 63.3 mttp -61.3 -16.28 44.03 Favored 'General case' 0 N--CA 1.511 2.599 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.84 -10.61 86.01 Favored Glycine 0 N--CA 1.48 1.605 0 O-C-N 119.948 -1.72 . . . . 0.0 109.308 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.3 32.89 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.3 -1.706 . . . . 0.0 109.977 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.4 p -75.49 -30.17 59.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.171 -0.955 . . . . 0.0 112.352 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.57 10.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 119.837 -1.789 . . . . 0.0 112.871 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.95 130.22 35.35 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 102.796 -3.039 . . . . 0.0 102.796 171.301 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.6 mt -126.64 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.432 0 O-C-N 121.082 -1.011 . . . . 0.0 109.351 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -124.92 143.18 51.0 Favored 'General case' 0 C--N 1.285 -2.225 0 CA-C-O 123.105 1.431 . . . . 0.0 110.014 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.7 t -108.07 130.0 61.32 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.728 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.9 m -127.49 119.51 26.23 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 120.867 -1.146 . . . . 0.0 108.977 -178.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.48 122.62 39.37 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.533 -0.729 . . . . 0.0 109.931 177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 38.91 24.19 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.843 -1.161 . . . . 0.0 112.766 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.11 83.44 Favored Glycine 0 N--CA 1.503 3.117 0 O-C-N 119.998 -1.688 . . . . 0.0 112.512 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.9 136.22 54.59 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 177.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.77 158.56 33.01 Favored 'General case' 0 C--N 1.276 -2.629 0 CA-C-O 123.837 1.779 . . . . 0.0 112.375 -175.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.72 151.37 31.33 Favored 'General case' 0 C--N 1.279 -2.475 0 CA-C-N 112.466 -2.152 . . . . 0.0 108.572 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.64 135.94 48.75 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 173.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.446 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.89 -6.82 47.67 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.794 -1.191 . . . . 0.0 110.73 179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.5 13.01 31.39 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.69 -1.257 . . . . 0.0 109.359 -177.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 36.4 t -133.13 104.16 6.37 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 122.163 0.982 . . . . 0.0 110.116 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.424 HD22 ' CE ' ' A' ' 9' ' ' MET . 58.3 tp -57.17 -37.96 72.89 Favored 'General case' 0 C--N 1.292 -1.912 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.98 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -58.92 -51.29 70.68 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.594 -1.316 . . . . 0.0 113.07 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.03 -32.49 70.65 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 119.599 -1.938 . . . . 0.0 109.162 -178.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.81 75.92 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 119.012 -1.075 . . . . 0.0 109.924 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.554 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 68.7 tp60 -67.61 -10.47 52.34 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.676 -0.64 . . . . 0.0 109.967 -177.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.0 p -89.79 -7.72 53.77 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 118.105 -1.438 . . . . 0.0 110.911 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . 0.478 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 96.3 mt -93.39 159.32 15.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.24 -0.912 . . . . 0.0 110.111 -178.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.71 104.9 2.97 Favored Glycine 0 N--CA 1.486 2.018 0 N-CA-C 106.878 -2.489 . . . . 0.0 106.878 177.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.1 mt -119.69 47.39 1.73 Allowed 'General case' 0 C--N 1.308 -1.207 0 O-C-N 120.678 -1.483 . . . . 0.0 107.393 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 34.7 p -81.48 172.51 13.42 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 118.786 -1.166 . . . . 0.0 109.231 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -60.68 140.9 57.31 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.855 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.47 -3.21 78.85 Favored Glycine 0 N--CA 1.501 2.996 0 C-N-CA 120.034 -1.079 . . . . 0.0 111.294 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.44 135.91 34.06 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.9 -1.353 . . . . 0.0 110.61 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.47 123.75 48.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.7 m -112.21 160.11 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.297 0 C-N-CA 117.413 -1.715 . . . . 0.0 110.684 178.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.6 m -108.88 128.4 54.89 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.541 -1.349 . . . . 0.0 107.549 175.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.88 121.28 60.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.29 50.69 Favored 'General case' 0 C--N 1.285 -2.223 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -179.555 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.45 47.17 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 118.467 -1.293 . . . . 0.0 109.732 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.23 110.77 6.41 Favored 'General case' 0 C--N 1.287 -2.122 0 C-N-CA 118.591 -1.243 . . . . 0.0 108.038 178.17 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.3 40.16 Favored Glycine 0 C--N 1.297 -1.637 0 C-N-CA 117.952 -2.07 . . . . 0.0 110.3 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.38 -40.62 82.83 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.3 -0.95 . . . . 0.0 112.153 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.06 36.81 3.54 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 115.883 -2.327 . . . . 0.0 108.542 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.58 65.88 Favored 'General case' 0 N--CA 1.521 3.08 0 N-CA-C 116.854 2.168 . . . . 0.0 116.854 -174.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.44 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.87 -45.64 27.5 Favored 'General case' 0 N--CA 1.509 2.502 0 O-C-N 119.544 -1.973 . . . . 0.0 110.944 -176.543 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.778 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.57 -40.65 97.51 Favored 'General case' 0 C--N 1.283 -2.3 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.55 77.43 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 117.459 -1.696 . . . . 0.0 110.014 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.4 t -66.83 -42.14 88.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-O 122.202 1.001 . . . . 0.0 109.26 -178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.97 -47.83 76.94 Favored 'General case' 0 C--N 1.287 -2.124 0 CA-C-O 122.046 0.927 . . . . 0.0 108.725 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.778 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.78 -38.35 76.68 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.729 -178.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.2 mt -75.62 -28.57 58.89 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.475 -1.39 . . . . 0.0 110.842 -174.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.5 -39.46 70.75 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.427 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.99 -49.23 62.86 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.22 -45.22 84.06 Favored 'General case' 0 N--CA 1.494 1.725 0 C-N-CA 119.06 -1.056 . . . . 0.0 110.579 177.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.36 -37.38 85.47 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.943 -1.098 . . . . 0.0 111.545 -177.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.96 -31.79 61.55 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.135 -0.978 . . . . 0.0 110.228 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.91 -32.27 45.63 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.503 -0.748 . . . . 0.0 111.335 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.04 125.44 12.14 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 124.238 1.97 . . . . 0.0 112.888 178.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.813 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 70.9 tt0 . . . . . 0 C--N 1.277 -2.556 0 CA-C-N 111.158 -2.746 . . . . 0.0 110.106 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -57.77 -36.98 72.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.494 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 6' ' ' GLU . 84.1 tt0 -62.7 -69.57 0.25 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.509 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.629 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.4 mt -38.29 -38.39 0.35 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.494 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.81 -47.4 78.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.939 0.4 . . . . 0.0 110.313 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.4 mt-10 -66.81 -36.68 82.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.292 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.84 -42.37 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.367 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.681 HG21 HG13 ' A' ' 73' ' ' VAL . 79.2 t -60.41 -44.68 96.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.015 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.424 ' CE ' HD22 ' D' ' 347' ' ' LEU . 92.0 mtp -59.33 -42.1 90.67 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.89 -41.95 97.18 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.45 -42.88 98.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.338 . . . . 0.0 110.21 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.9 -44.27 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.765 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.538 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 89.7 mt -63.3 -43.7 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.97 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -61.65 -46.06 91.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.813 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -60.38 -44.78 95.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.002 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.28 -42.33 99.3 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -63.81 -44.67 92.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.401 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.14 -49.41 77.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.892 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.45 -45.9 91.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -55.1 -43.84 74.36 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.12 -41.45 98.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.648 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.88 -48.44 79.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -60.35 -40.96 92.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.615 178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.97 92.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.7 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.92 -42.59 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.653 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.43 -44.66 96.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.518 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -55.65 -42.57 75.2 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.12 -42.03 98.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.775 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.23 95.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.725 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.5 -29.07 69.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.101 179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -79.66 -4.32 51.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.4 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 12.83 75.74 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -96.68 80.47 3.08 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 120.74 0.305 . . . . 0.0 110.29 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -65.12 -34.6 78.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.659 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.2 -48.41 80.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.064 0.459 . . . . 0.0 110.757 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.57 80.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.354 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.61 -48.53 78.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.585 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.29 -42.39 98.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.596 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.63 98.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.774 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.72 -42.64 90.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.474 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.566 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.1 mtm -64.15 -41.0 97.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.681 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -61.58 -47.28 86.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.01 0.433 . . . . 0.0 110.605 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.7 -40.68 97.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.233 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.83 -46.46 89.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.544 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.68 -42.94 98.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.359 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.35 -42.59 98.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.231 0.538 . . . . 0.0 110.604 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -41.69 97.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.216 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.622 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 95.0 mt -65.51 -40.37 92.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.691 179.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.409 HD22 ' HA ' ' A' ' 49' ' ' ASN . 7.8 m120 -61.03 -41.69 97.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.345 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -64.79 -39.5 93.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.173 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.92 -44.16 77.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.409 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.605 ' O ' HG23 ' A' ' 56' ' ' THR . 60.1 t-80 -62.11 -38.72 89.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.368 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.515 ' O ' ' OG1' ' A' ' 56' ' ' THR . 40.9 mt -61.02 -43.69 98.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.348 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.02 -43.36 92.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.056 0.455 . . . . 0.0 110.0 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -60.6 -43.93 96.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.264 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 52' ' ' HIS . 32.8 p -57.23 -41.53 79.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.002 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.01 -38.63 91.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.909 0.385 . . . . 0.0 110.574 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.63 -28.9 69.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.631 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.63 HD11 HE21 ' A' ' 78' ' ' GLN . 76.8 mt -89.91 -33.77 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.862 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.476 ' O ' ' O ' ' A' ' 61' ' ' GLY . 80.5 mm-40 -82.52 -6.04 59.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.534 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.476 ' O ' ' O ' ' A' ' 60' ' ' GLU . . . -46.65 179.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.511 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 50.8 p-10 -85.61 97.14 9.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.573 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.2 142.32 50.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.525 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.434 ' H ' ' HD3' ' A' ' 67' ' ' LYS . . . -67.39 168.56 38.3 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.78 119.44 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.736 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.3 4.98 87.39 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.434 ' HD3' ' H ' ' A' ' 64' ' ' GLY . 50.3 tttp -81.62 137.37 35.48 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.678 0.275 . . . . 0.0 110.446 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.486 ' N ' ' SD ' ' A' ' 68' ' ' MET . 4.2 mpp? -77.46 152.16 34.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.666 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -78.55 -8.47 58.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.84 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -113.51 132.17 63.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.706 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 75' ' ' VAL . 85.0 p -136.43 172.09 13.52 Favored 'General case' 0 C--O 1.226 -0.136 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 178.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.588 HD22 HD11 ' B' ' 72' ' ' LEU . 4.2 mm? -57.61 -45.91 84.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.617 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.681 HG13 HG21 ' A' ' 8' ' ' VAL . 71.4 t -64.29 -47.66 88.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.888 0.375 . . . . 0.0 110.619 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.49 -41.67 98.56 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -178.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 71' ' ' SER . 54.7 t -59.3 -47.93 88.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.221 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -58.95 -45.27 90.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.318 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.17 94.27 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.78 0.324 . . . . 0.0 110.673 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.63 HE21 HD11 ' A' ' 59' ' ' ILE . 85.3 mt-30 -63.39 -41.3 98.76 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.153 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 83' ' ' THR . 54.7 tp -57.31 -46.73 82.91 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.365 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -67.31 -46.71 72.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.743 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.42 -45.91 92.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.836 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 89.3 mmm -62.19 -43.87 97.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.141 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.5 p -64.08 -47.36 80.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.114 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -62.16 -48.8 78.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.476 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.95 -47.47 82.81 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.529 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.03 -45.93 91.4 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.125 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.1 -48.7 80.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.849 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.622 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 7.7 tmm_? -57.86 -45.54 86.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.147 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' B' ' 23' ' ' TYR . 83.8 tt0 -61.8 -43.5 98.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.142 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.84 -42.51 97.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.132 0.491 . . . . 0.0 109.823 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.451 HD12 ' HB1' ' A' ' 22' ' ' ALA . 75.8 mt -59.74 -41.7 86.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.274 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.9 m -58.32 -45.17 88.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.41 -43.86 97.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.583 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 91.5 mt -58.93 -43.16 91.11 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.566 HD12 ' SD ' ' A' ' 41' ' ' MET . 92.0 mt -61.64 -42.42 94.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.495 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.39 -40.59 94.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.1 0.476 . . . . 0.0 109.741 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.52 -41.66 97.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.904 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 65.9 m80 -59.92 -38.84 83.52 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.465 ' O ' ' O ' ' A' ' 102' ' ' LYS . 10.2 tm-20 -63.19 -39.4 94.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.236 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.22 -39.47 92.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.178 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 41.8 mt -63.32 -41.92 98.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' A' ' 99' ' ' GLU . 68.9 mttm -92.67 142.04 27.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.469 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.595 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -57.82 -37.08 73.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.605 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' B' ' 6' ' ' GLU . 83.6 tt0 -62.57 -69.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.412 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.629 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.2 mt -38.13 -38.33 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.504 -179.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.86 -47.34 78.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.921 0.391 . . . . 0.0 110.31 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.0 mt-10 -67.0 -36.56 82.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.193 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.61 -42.72 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.646 HG21 HG13 ' B' ' 73' ' ' VAL . 77.2 t -60.26 -45.01 96.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.829 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 91.8 mtp -59.15 -41.83 89.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.22 -42.15 96.47 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.12 -42.68 99.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.768 0.318 . . . . 0.0 110.339 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.4 -44.4 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.599 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.72 -44.34 99.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.863 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' B' ' 14' ' ' ASN . 52.3 t-20 -61.35 -46.06 91.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.806 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.1 t -60.33 -44.61 95.33 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.056 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.39 -41.85 99.28 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -64.29 -44.75 90.69 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.421 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.93 -49.53 76.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.915 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.39 -45.84 92.1 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 70.1 m -55.24 -43.72 74.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.13 -41.5 98.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.796 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.46 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.66 -48.69 78.8 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 89' ' ' GLU . 24.0 m-85 -60.25 -40.48 90.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.717 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.29 94.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.711 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.83 -42.36 84.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.68 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.7 -44.82 96.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.338 178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -55.68 -42.29 74.94 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -62.25 -42.08 99.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.843 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.11 96.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.705 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.51 -28.89 69.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.079 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -80.0 -4.23 51.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.376 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.01 12.84 76.01 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.65 80.29 3.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.842 0.354 . . . . 0.0 110.294 179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -65.19 -34.39 78.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.586 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.14 -48.81 78.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 110.812 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.45 80.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.449 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.83 77.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.564 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -60.72 -42.88 98.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.578 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.8 99.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.7 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.75 -42.34 91.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.53 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.576 ' SD ' HD12 ' B' ' 95' ' ' ILE . 73.4 mtm -64.43 -41.06 96.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.548 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -61.62 -47.38 85.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.462 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -62.51 -40.86 98.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.315 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' B' ' 41' ' ' MET . 77.7 p -61.77 -46.62 88.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.488 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -60.48 -42.77 96.96 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.309 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.52 -42.71 99.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.285 0.565 . . . . 0.0 110.608 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.44 97.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.161 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.616 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 95.2 mt -65.93 -40.47 91.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.7 179.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -60.81 -41.53 95.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.329 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.13 -39.69 93.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.106 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.59 -44.23 78.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.454 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . 0.607 ' O ' HG23 ' B' ' 56' ' ' THR . 60.2 t-80 -62.29 -38.65 90.16 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.281 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.506 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.9 mt -61.02 -43.73 98.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.372 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.07 -43.28 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 0.0 110.035 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.71 -44.03 97.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.243 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.607 HG23 ' O ' ' B' ' 52' ' ' HIS . 32.3 p -57.1 -41.46 78.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.969 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.08 -38.6 91.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.922 0.391 . . . . 0.0 110.587 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -65.71 -28.73 69.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.689 -179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.628 HD11 HE21 ' B' ' 78' ' ' GLN . 76.2 mt -89.83 -33.89 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.772 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' B' ' 61' ' ' GLY . 80.8 mm-40 -82.71 -5.85 59.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.576 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' B' ' 60' ' ' GLU . . . -46.19 179.27 0.01 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.066 -0.813 . . . . 0.0 111.066 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.509 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 50.8 p-10 -85.27 96.66 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 110.574 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.9 142.63 51.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.384 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.435 ' H ' ' HD3' ' B' ' 67' ' ' LYS . . . -67.81 168.9 39.28 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.05 119.31 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.602 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.7 4.82 88.21 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.435 ' HD3' ' H ' ' B' ' 64' ' ' GLY . 51.2 tttp -81.55 138.18 35.45 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.692 0.282 . . . . 0.0 110.472 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . 0.488 ' N ' ' SD ' ' B' ' 68' ' ' MET . 4.2 mpp? -78.38 152.76 32.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.616 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -78.92 -8.01 58.49 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.402 ' O ' HG13 ' B' ' 70' ' ' VAL . 11.7 p -114.89 131.67 66.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.801 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.624 ' O ' HG23 ' B' ' 75' ' ' VAL . 97.7 p -136.38 172.82 12.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.547 -178.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.59 HD22 HD11 ' C' ' 72' ' ' LEU . 4.0 mm? -58.81 -46.04 88.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.566 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.646 HG13 HG21 ' B' ' 8' ' ' VAL . 64.4 t -63.59 -46.58 94.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.643 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.35 -41.0 96.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.996 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 71' ' ' SER . 54.6 t -59.5 -47.7 89.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.312 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -59.28 -45.59 90.84 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.275 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.19 95.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.87 0.366 . . . . 0.0 110.424 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.628 HE21 HD11 ' B' ' 59' ' ' ILE . 85.3 mt-30 -63.52 -41.37 98.5 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.286 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.462 ' O ' HG23 ' B' ' 83' ' ' THR . 53.9 tp -57.16 -46.54 82.67 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.397 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -67.57 -46.65 72.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.761 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 68.3 mt -61.65 -45.32 94.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.9 mmm -62.75 -43.32 99.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.262 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.462 HG23 ' O ' ' B' ' 79' ' ' LEU . 19.9 p -64.61 -47.41 78.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.129 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.5 t -62.2 -48.23 80.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.597 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -58.19 -47.86 82.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.522 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.79 -45.81 92.24 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -48.2 82.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.932 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.616 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 7.8 tmm_? -58.53 -45.17 89.44 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.278 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.475 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 83.7 tt0 -62.01 -43.67 98.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.146 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 83.7 mt -63.8 -42.24 97.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.087 0.47 . . . . 0.0 110.056 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.46 HD12 ' HB1' ' B' ' 22' ' ' ALA . 75.8 mt -59.85 -41.93 87.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.167 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 85.4 m -57.9 -45.49 86.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.087 0.47 . . . . 0.0 109.846 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.31 -43.98 97.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.466 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.543 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 90.9 mt -58.71 -42.95 89.88 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.576 HD12 ' SD ' ' B' ' 41' ' ' MET . 91.6 mt -61.87 -42.66 95.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.515 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -61.11 -40.53 94.1 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.58 -41.83 97.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.832 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.543 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 67.2 m80 -59.74 -38.63 82.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.748 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' B' ' 102' ' ' LYS . 10.4 tm-20 -63.45 -39.58 94.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.14 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.18 -39.1 92.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.183 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' B' ' 101' ' ' LEU . 42.7 mt -63.47 -42.18 98.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.397 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' B' ' 99' ' ' GLU . 68.9 mttm -92.65 142.39 27.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.62 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -57.81 -36.87 72.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.633 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' C' ' 6' ' ' GLU . 84.1 tt0 -62.71 -69.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.366 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.629 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.9 mt -38.05 -38.53 0.33 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.428 -179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -64.84 -47.41 78.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.379 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' C' ' 3' ' ' GLU . 96.9 mt-10 -66.75 -36.5 82.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.383 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.8 -42.63 96.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.631 HG21 HG13 ' C' ' 73' ' ' VAL . 79.7 t -60.24 -44.9 96.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.029 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.3 -41.95 90.19 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.02 -42.35 96.78 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.189 -1.164 . . . . 0.0 110.189 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 11' ' ' LEU . 83.2 mt -62.84 -42.8 99.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.381 179.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.12 -44.17 99.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.619 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.2 mt -63.12 -44.23 99.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.99 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' C' ' 14' ' ' ASN . 52.0 t-20 -61.19 -46.52 90.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.852 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.6 t -60.02 -44.7 94.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.189 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.09 -42.83 99.44 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -63.42 -45.16 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.407 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -57.4 -49.99 74.43 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.14 -45.82 91.73 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 70.8 m -55.28 -43.91 75.18 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' C' ' 21' ' ' LEU . 80.0 mt -61.85 -41.34 97.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.7 178.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.468 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.82 -48.97 78.22 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.475 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 24.1 m-85 -60.12 -41.03 91.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.531 179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.48 91.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.745 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.81 -42.31 83.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.641 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.72 -44.44 96.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.439 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.07 -42.28 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.53 -41.35 98.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.897 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.41 -43.78 96.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.823 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.17 -29.09 69.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.034 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -79.37 -4.8 52.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.468 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.62 12.18 75.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.03 80.46 3.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.75 0.31 . . . . 0.0 110.332 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -65.22 -34.57 78.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.558 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.19 -48.24 80.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.724 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.35 -35.15 79.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.375 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.06 -48.56 78.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.493 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -60.74 -43.24 98.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.624 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.09 99.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.755 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.36 -42.66 92.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.009 0.433 . . . . 0.0 110.549 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.564 ' SD ' HD12 ' C' ' 95' ' ' ILE . 73.6 mtm -64.17 -41.24 97.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.571 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -61.51 -47.63 84.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.428 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.29 -40.71 97.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.35 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.7 p -61.95 -46.38 89.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.502 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.92 -42.54 98.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.313 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.5 -42.97 99.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.353 0.597 . . . . 0.0 110.542 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.83 98.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.354 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.622 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 94.1 mt -65.74 -40.43 92.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -61.06 -41.5 96.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.368 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -64.65 -40.16 94.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.015 0.436 . . . . 0.0 110.05 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.46 -44.48 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.369 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.613 ' O ' HG23 ' C' ' 56' ' ' THR . 60.1 t-80 -61.77 -38.71 89.06 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.274 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.493 ' O ' ' OG1' ' C' ' 56' ' ' THR . 40.7 mt -61.3 -43.57 98.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.271 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.1 t -65.93 -43.36 92.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.045 0.45 . . . . 0.0 109.972 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.81 -43.95 97.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.245 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.613 HG23 ' O ' ' C' ' 52' ' ' HIS . 33.9 p -57.13 -41.35 78.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.134 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.26 -38.66 92.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.936 0.398 . . . . 0.0 110.48 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 99.3 mt -65.34 -28.98 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.644 HD11 HE21 ' C' ' 78' ' ' GLN . 77.0 mt -89.85 -34.0 6.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.835 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.554 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.9 mm-40 -82.46 -5.91 58.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.498 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' C' ' 60' ' ' GLU . . . -46.24 -179.87 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.506 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 50.5 p-10 -86.06 96.34 9.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.905 0.383 . . . . 0.0 110.583 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.69 142.95 51.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.506 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . 0.441 ' H ' ' HD3' ' C' ' 67' ' ' LYS . . . -68.1 168.83 40.49 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.73 119.38 9.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.688 0.28 . . . . 0.0 110.652 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.41 4.83 87.48 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.441 ' HD3' ' H ' ' C' ' 64' ' ' GLY . 51.5 tttp -81.41 137.83 35.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.548 0.213 . . . . 0.0 110.618 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' C' ' 68' ' ' MET . 4.2 mpp? -78.12 153.08 32.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.581 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -79.26 -7.78 58.53 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.407 ' O ' HG13 ' C' ' 70' ' ' VAL . 11.5 p -114.64 131.22 67.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.682 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.636 ' O ' HG23 ' C' ' 75' ' ' VAL . 93.0 p -135.28 174.99 10.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.554 -178.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.59 HD11 HD22 ' B' ' 72' ' ' LEU . 3.8 mm? -60.66 -45.02 95.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.637 -177.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.631 HG13 HG21 ' C' ' 8' ' ' VAL . 61.6 t -64.73 -46.87 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 130.06 3.344 . . . . 0.0 110.657 -178.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.48 -40.93 89.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.636 HG23 ' O ' ' C' ' 71' ' ' SER . 54.2 t -59.78 -48.22 88.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.232 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -59.28 -45.11 92.13 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.292 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.08 94.46 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.864 0.364 . . . . 0.0 110.383 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.644 HE21 HD11 ' C' ' 59' ' ' ILE . 85.1 mt-30 -63.82 -41.2 97.92 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.236 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.464 ' O ' HG23 ' C' ' 83' ' ' THR . 52.8 tp -57.19 -46.64 82.67 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.492 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -67.59 -46.78 71.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.704 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 67.7 mt -61.44 -45.74 93.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.803 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 89.1 mmm -62.3 -43.59 98.46 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.345 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.464 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.7 p -64.41 -47.65 78.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.171 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -61.84 -48.43 80.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.609 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -58.1 -47.95 81.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.516 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.58 -46.04 91.59 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.178 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.95 -48.54 81.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.901 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.622 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 7.8 tmm_? -58.24 -45.16 88.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.227 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -61.93 -43.75 98.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.158 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.84 -42.26 97.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.12 0.486 . . . . 0.0 109.969 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.468 HD12 ' HB1' ' C' ' 22' ' ' ALA . 76.4 mt -59.72 -41.93 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.407 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 89.3 m -57.88 -45.32 86.54 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.55 -0.46 . . . . 0.0 109.973 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -62.48 -44.09 97.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.459 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.516 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 91.0 mt -58.43 -43.22 88.63 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . 0.564 HD12 ' SD ' ' C' ' 41' ' ' MET . 92.2 mt -61.58 -42.8 95.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.615 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -60.99 -40.52 93.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.724 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' C' ' 97' ' ' LEU . 84.5 mt -61.61 -41.58 97.66 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.89 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.516 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 66.3 m80 -60.07 -38.42 82.81 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' C' ' 102' ' ' LYS . 10.3 tm-20 -63.53 -39.72 95.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.156 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.99 -39.13 93.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.199 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 41.3 mt -63.4 -42.35 98.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.315 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.488 ' O ' ' O ' ' C' ' 99' ' ' GLU . 68.8 mttm -92.56 142.12 27.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.462 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.531 -179.849 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.535 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.929 0.871 . . . . 0.0 108.935 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.465 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.76 143.05 36.76 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.34 38.61 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.064 -1.022 . . . . 0.0 109.502 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.12 28.41 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.24 19.0 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 108.412 178.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.75 144.39 19.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 177.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.61 37.0 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.115 0.96 . . . . 0.0 110.145 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . 0.483 HD13 HD23 ' D' ' 314' ' ' LEU . 50.8 mt -84.96 114.29 24.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.9 p -106.9 -4.26 19.35 Favored 'General case' 0 C--N 1.265 -3.07 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.806 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.49 141.8 85.83 Favored Pre-proline 0 N--CA 1.499 2.012 0 O-C-N 119.672 -1.892 . . . . 0.0 110.608 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.52 -47.63 13.0 Favored 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 124.728 3.619 . . . . 0.0 114.152 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.606 ' CB ' ' NE2' ' C' ' 52' ' ' HIS . 1.5 p30 -102.22 27.72 6.46 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 116.014 -2.274 . . . . 0.0 108.743 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 57.14 -148.13 33.41 Favored Glycine 0 N--CA 1.496 2.675 0 C-N-CA 117.659 -2.21 . . . . 0.0 109.631 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.483 HD23 HD13 ' D' ' 308' ' ' ILE . 1.4 mm? -83.53 82.71 8.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.846 -1.385 . . . . 0.0 109.529 -177.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.432 ' CE1' ' H ' ' D' ' 317' ' ' ARG . 3.1 p80 -78.92 179.03 7.53 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 117.857 -1.537 . . . . 0.0 112.129 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.474 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 7.6 p -36.92 -68.77 0.13 Allowed 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 -176.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.474 ' N ' ' OG1' ' D' ' 316' ' ' THR . 2.9 tmm_? -58.43 -51.59 80.73 Favored Pre-proline 0 N--CA 1.492 1.642 0 C-N-CA 120.148 -0.621 . . . . 0.0 112.499 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.9 Cg_endo -64.72 -32.19 57.44 Favored 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 120.939 1.093 . . . . 0.0 111.468 -177.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.478 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.96 -38.86 86.86 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.231 -0.918 . . . . 0.0 109.482 -179.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.428 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.96 -39.65 72.42 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -64.02 -39.42 94.05 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 117.953 -1.499 . . . . 0.0 109.427 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.61 -45.32 93.39 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.677 1.227 . . . . 0.0 108.738 -177.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.478 HG23 ' O ' ' D' ' 319' ' ' ALA . 55.8 t -62.68 -42.27 95.43 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.215 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.649 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.566 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.2 mttt -63.83 -40.28 96.22 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.209 -0.932 . . . . 0.0 109.794 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.536 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.8 -39.66 80.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.477 -0.764 . . . . 0.0 109.559 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.09 -44.01 91.88 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.599 -1.313 . . . . 0.0 109.44 178.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.32 -16.18 43.25 Favored 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 178.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.61 86.1 Favored Glycine 0 N--CA 1.48 1.593 0 O-C-N 119.988 -1.695 . . . . 0.0 109.278 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.404 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.49 143.36 32.82 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.277 -1.72 . . . . 0.0 110.072 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.0 p -75.6 -30.18 59.49 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.223 -0.923 . . . . 0.0 112.231 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.72 158.51 10.14 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 119.873 -1.767 . . . . 0.0 112.88 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.93 130.18 35.32 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 102.837 -3.023 . . . . 0.0 102.837 171.315 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.8 mt -126.66 136.54 60.51 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.449 0 CA-C-O 122.205 1.002 . . . . 0.0 109.335 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.86 143.14 50.99 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-O 123.114 1.435 . . . . 0.0 109.997 178.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.0 t -108.04 129.92 61.41 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 173.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.0 m -127.49 119.58 26.39 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.963 -1.086 . . . . 0.0 108.887 -178.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.56 122.58 39.22 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.582 -0.699 . . . . 0.0 109.953 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.78 39.01 24.63 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.913 -1.117 . . . . 0.0 112.73 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.61 10.94 83.7 Favored Glycine 0 N--CA 1.5 2.957 0 O-C-N 119.934 -1.729 . . . . 0.0 112.607 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.82 136.22 54.56 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 105.294 -2.113 . . . . 0.0 105.294 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 67.9 m -124.7 158.53 32.98 Favored 'General case' 0 C--N 1.276 -2.622 0 CA-C-O 123.825 1.774 . . . . 0.0 112.429 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.69 151.37 31.35 Favored 'General case' 0 C--N 1.279 -2.482 0 CA-C-N 112.498 -2.137 . . . . 0.0 108.57 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.55 135.9 48.88 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.95 -6.82 47.82 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.693 -1.254 . . . . 0.0 110.727 179.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.46 12.99 31.39 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.587 -1.321 . . . . 0.0 109.399 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 95.4 p -133.11 104.15 6.37 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 122.226 1.012 . . . . 0.0 110.123 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.19 -37.88 72.83 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.997 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -58.86 -51.45 69.96 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.561 -1.337 . . . . 0.0 113.036 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.06 -32.38 70.45 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 119.544 -1.972 . . . . 0.0 109.176 -178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.8 -33.83 76.01 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.968 -1.093 . . . . 0.0 109.926 -177.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.569 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 59.4 tt0 -67.53 -10.54 52.73 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.674 -0.641 . . . . 0.0 109.956 -177.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 36.7 p -89.75 -7.69 53.92 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 118.151 -1.42 . . . . 0.0 110.911 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . 0.474 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.7 mt -93.38 159.26 15.33 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.205 -0.934 . . . . 0.0 110.188 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.61 104.86 2.96 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 106.933 -2.467 . . . . 0.0 106.933 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 78.9 mt -119.59 47.36 1.73 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 120.705 -1.468 . . . . 0.0 107.436 -178.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.993 HG22 HG21 ' C' ' 56' ' ' THR . 2.9 p -81.5 172.51 13.41 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 118.808 -1.157 . . . . 0.0 109.211 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -60.68 140.95 57.29 Favored 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 119.354 -0.939 . . . . 0.0 109.901 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.42 -3.28 79.08 Favored Glycine 0 N--CA 1.501 2.968 0 C-N-CA 119.976 -1.107 . . . . 0.0 111.414 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.8 m -84.41 135.94 34.06 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.818 -1.401 . . . . 0.0 110.592 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.2 t -96.55 123.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.491 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.3 m -112.16 160.06 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 117.398 -1.721 . . . . 0.0 110.634 178.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.425 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 90.6 m -108.89 128.36 54.85 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 120.526 -1.359 . . . . 0.0 107.601 175.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.84 121.43 60.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.419 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.29 50.69 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.78 153.39 47.13 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.72 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.24 110.69 6.37 Favored 'General case' 0 C--N 1.287 -2.118 0 C-N-CA 118.563 -1.255 . . . . 0.0 108.088 178.14 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.3 -170.29 40.18 Favored Glycine 0 C--N 1.296 -1.68 0 C-N-CA 118.002 -2.047 . . . . 0.0 110.353 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.33 -40.59 82.53 Favored 'General case' 0 C--N 1.276 -2.598 0 CA-C-N 114.42 -0.89 . . . . 0.0 112.234 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.04 36.78 3.55 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 115.862 -2.335 . . . . 0.0 108.62 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.45 -33.45 65.91 Favored 'General case' 0 N--CA 1.521 3.082 0 N-CA-C 116.906 2.188 . . . . 0.0 116.906 -174.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.462 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.67 27.56 Favored 'General case' 0 N--CA 1.509 2.484 0 O-C-N 119.569 -1.957 . . . . 0.0 110.946 -176.61 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.83 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.56 -40.66 97.56 Favored 'General case' 0 C--N 1.283 -2.293 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 178.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.52 77.53 Favored 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 117.464 -1.695 . . . . 0.0 110.039 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.9 t -66.77 -42.25 89.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 122.203 1.001 . . . . 0.0 109.298 -178.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.93 -47.9 76.7 Favored 'General case' 0 C--N 1.286 -2.167 0 CA-C-O 121.972 0.892 . . . . 0.0 108.75 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.83 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.8 m-70 -69.71 -38.32 76.89 Favored 'General case' 0 C--N 1.289 -2.022 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.8 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' D' ' 377' ' ' LEU . 81.1 mt -75.61 -28.64 58.95 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.367 -1.458 . . . . 0.0 110.897 -174.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.48 -39.5 70.97 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.447 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.16 63.5 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.536 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.28 -45.25 84.26 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 118.996 -1.082 . . . . 0.0 110.465 177.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.491 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.33 -37.42 85.54 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.919 -1.113 . . . . 0.0 111.538 -177.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.67 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.068 -1.02 . . . . 0.0 110.274 -178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.81 -32.29 46.21 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.439 -0.788 . . . . 0.0 111.401 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.1 125.42 12.2 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 124.277 1.989 . . . . 0.0 112.914 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.806 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 33.6 tp10 . . . . . 0 C--N 1.277 -2.571 0 CA-C-N 111.192 -2.731 . . . . 0.0 110.173 -177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 59.0 mp0 -61.35 -36.93 81.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.517 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 6' ' ' GLU . 79.5 mm-40 -60.26 -79.14 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.8 mt -37.85 -36.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.409 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -64.68 -47.51 78.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.881 0.372 . . . . 0.0 110.226 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 3' ' ' GLU . 80.4 tt0 -67.21 -36.65 82.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.314 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.436 HG11 HD11 ' A' ' 58' ' ' LEU . 72.7 t -63.91 -42.41 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.354 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 4' ' ' LEU . 71.1 t -60.4 -45.19 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.959 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.05 -42.02 89.27 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.65 -41.91 97.54 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.292 -1.123 . . . . 0.0 110.292 179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.88 -43.16 99.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.252 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.32 -43.96 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.792 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.566 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 87.1 mt -63.73 -44.39 98.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.496 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 50.5 t-20 -60.95 -45.94 92.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.856 179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.2 t -60.78 -43.59 97.89 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.01 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.85 97.64 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.06 -44.21 96.45 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.35 -49.12 78.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.863 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.37 -45.44 93.51 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.57 -45.22 81.43 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.66 -41.7 97.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.71 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.66 -48.0 80.73 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -60.47 -41.16 93.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.551 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.11 -42.22 94.25 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.758 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.6 85.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.702 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.47 HD11 ' CE1' ' A' ' 98' ' ' HIS . 56.5 tp -61.6 -44.97 96.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.447 178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.4 -41.52 72.82 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.99 -41.1 95.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.816 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.48 94.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.743 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.15 -30.24 70.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.137 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -79.43 -4.61 51.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.474 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.86 13.09 75.9 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.95 80.8 3.02 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 120.776 0.322 . . . . 0.0 110.255 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -64.95 -34.55 78.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.646 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.88 77.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.978 0.418 . . . . 0.0 110.761 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.37 80.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.374 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.69 77.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.594 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -62.02 -42.36 99.08 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.623 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.01 -42.95 99.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.775 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mmm -65.43 -41.1 93.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.535 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.482 ' SD ' ' OG1' ' A' ' 92' ' ' THR . 3.2 mmt -62.54 -41.09 98.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.653 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -62.11 -44.18 97.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.95 0.405 . . . . 0.0 110.469 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -63.17 -41.28 99.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.236 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.2 p -61.58 -45.58 93.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.564 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.63 -42.5 97.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.363 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.7 mtp -61.77 -41.95 98.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.172 0.51 . . . . 0.0 110.529 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.13 99.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.21 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.99 -39.88 90.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.684 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -60.82 -41.58 96.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.197 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.39 -39.91 92.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.016 0.436 . . . . 0.0 110.191 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.496 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -67.27 -43.33 82.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.501 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -63.09 -38.28 90.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.373 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.7 mt -61.15 -43.36 99.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.328 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.87 -43.44 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.061 0.458 . . . . 0.0 110.04 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.43 -42.1 95.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.215 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.2 m -57.0 -43.48 81.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.972 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -60.32 -40.17 89.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 110.527 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.47 ' HB3' HD21 ' A' ' 74' ' ' LEU . 94.9 mt -68.83 -39.08 80.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.737 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.84 -39.52 82.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -84.65 -12.84 53.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.488 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.88 -16.54 44.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -75.11 122.1 23.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 110.548 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.63 141.61 58.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.545 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.509 ' O ' ' O ' ' A' ' 67' ' ' LYS . . . -87.47 -3.35 81.5 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.499 ' C ' ' H ' ' A' ' 67' ' ' LYS . 81.1 tt0 -68.72 135.3 51.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 0.0 110.673 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.37 -38.03 0.45 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.509 ' O ' ' O ' ' A' ' 64' ' ' GLY . 99.4 mttt -98.84 143.84 28.72 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.71 0.29 . . . . 0.0 110.401 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.5 mmm -64.19 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.615 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.628 ' HG2' HG13 ' A' ' 70' ' ' VAL . 88.5 tttt -93.41 -99.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.861 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.628 HG13 ' HG2' ' A' ' 69' ' ' LYS . 24.0 m -88.4 -148.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.723 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 75' ' ' VAL . 64.9 p -135.0 170.68 15.54 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.1 tp -57.13 -45.25 83.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.522 HG13 HG21 ' A' ' 8' ' ' VAL . 55.4 t -61.78 -45.53 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.898 0.38 . . . . 0.0 110.552 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.47 HD21 ' HB3' ' A' ' 58' ' ' LEU . 31.2 mt -61.5 -39.99 92.95 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 71' ' ' SER . 52.6 t -59.66 -47.1 92.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.228 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -59.05 -45.81 89.84 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.269 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.46 -42.64 99.62 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.655 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.499 ' OE1' ' OE2' ' B' ' 76' ' ' GLU . 85.7 mt-30 -62.56 -39.4 93.53 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.18 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 83' ' ' THR . 44.8 tp -57.87 -47.75 81.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.41 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -67.4 -48.26 67.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.671 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.451 HD21 ' HB1' ' A' ' 51' ' ' ALA . 14.8 mt -61.35 -45.04 96.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.841 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.02 -43.25 99.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.213 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.2 p -63.94 -46.52 84.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.121 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.9 p -62.72 -49.88 73.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.441 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.72 -47.92 81.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.509 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.65 -45.14 95.32 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.057 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.31 -47.34 85.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.804 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -57.98 -45.88 86.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.133 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.34 -43.43 98.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.074 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.0 mt -64.17 -42.94 96.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.198 0.523 . . . . 0.0 109.774 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.515 HD12 ' HB1' ' A' ' 22' ' ' ALA . 79.7 mt -60.31 -41.8 88.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.371 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.482 ' OG1' ' SD ' ' A' ' 41' ' ' MET . 89.1 m -57.15 -45.56 83.47 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.54 -42.95 98.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.564 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 94' ' ' LEU . 84.4 mt -59.7 -43.27 94.17 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.27 -42.89 95.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.538 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.76 -39.37 88.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 109.709 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.16 -41.7 98.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.861 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.47 ' CE1' HD11 ' A' ' 26' ' ' LEU . 47.7 m170 -58.14 -40.81 82.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -60.34 -39.08 85.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.17 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.06 -36.19 83.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.183 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 103' ' ' ALA . 86.0 mt -82.39 -8.34 59.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.364 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 101' ' ' LEU . 99.1 mttt 38.12 -89.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.529 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.53 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -61.42 -36.75 81.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.552 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.2 mm-40 -60.41 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.511 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.663 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.3 mt -38.26 -35.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.526 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -65.11 -47.07 78.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.922 0.391 . . . . 0.0 110.355 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.2 tt0 -67.33 -36.74 82.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.212 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.421 HG11 HD11 ' B' ' 58' ' ' LEU . 73.0 t -63.87 -42.64 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.346 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.663 HG23 ' O ' ' B' ' 4' ' ' LEU . 72.6 t -60.2 -44.98 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.883 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.9 mtp -59.36 -42.0 90.57 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.19 97.58 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 179.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' B' ' 11' ' ' LEU . 33.3 mt -62.65 -43.12 99.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.788 0.328 . . . . 0.0 110.361 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.552 ' CD1' ' HZ1' ' A' ' 69' ' ' LYS . 95.2 mt -63.67 -43.82 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.6 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.74 -44.64 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.878 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.491 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 50.3 t-20 -60.79 -46.25 91.22 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.79 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.8 t -60.31 -43.82 96.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.108 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.95 -43.01 98.08 Favored Glycine 0 CA--C 1.52 0.386 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -63.04 -44.42 95.93 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.98 -49.12 77.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.907 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -60.44 -45.54 93.27 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -56.51 -45.21 81.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.44 -42.18 98.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.618 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.526 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.42 -48.28 79.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.94 -41.41 91.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.737 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.79 93.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.699 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.76 -42.52 84.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.643 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.456 HD11 ' CE1' ' B' ' 98' ' ' HIS . 57.3 tp -61.71 -44.8 96.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.399 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.5 -41.74 73.49 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.83 -40.81 94.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.941 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.32 95.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.695 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.44 -29.89 70.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.115 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -79.93 -4.48 52.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.352 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.1 12.41 76.64 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -96.28 80.99 3.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.856 0.36 . . . . 0.0 110.314 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -65.23 -34.22 77.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.584 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.11 76.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.072 0.463 . . . . 0.0 110.818 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.37 80.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.399 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -48.87 77.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.56 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -61.91 -42.33 98.96 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.57 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.27 -42.65 99.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.652 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -65.62 -40.95 93.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.551 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.481 ' O ' ' OG ' ' B' ' 44' ' ' SER . 3.2 mmt -62.67 -41.27 98.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.583 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.03 -44.28 97.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.457 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.99 -41.6 99.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.325 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.1 p -61.02 -45.98 92.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.5 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.61 -42.65 97.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.277 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.5 mtp -61.27 -42.13 98.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.359 0.599 . . . . 0.0 110.717 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.24 -42.54 99.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.176 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.53 -40.08 92.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.749 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -60.57 -41.65 95.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.347 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -65.53 -39.72 92.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.218 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.491 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -67.37 -43.74 80.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.438 179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -62.77 -38.27 89.93 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.283 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.15 -43.22 99.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.43 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.2 t -65.12 -43.32 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.001 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -60.49 -42.15 95.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.231 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 89.2 m -56.79 -43.69 81.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.968 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -60.29 -40.05 89.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.91 0.386 . . . . 0.0 110.547 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.493 ' HB3' HD21 ' B' ' 74' ' ' LEU . 95.9 mt -68.95 -39.2 79.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.659 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.74 -39.93 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.739 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -84.28 -12.22 55.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.483 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.39 -16.76 42.04 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -75.14 122.03 22.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.476 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.56 142.01 58.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.428 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' B' ' 67' ' ' LYS . . . -87.88 -3.27 80.26 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' B' ' 67' ' ' LYS . 81.0 tt0 -68.84 135.6 51.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.637 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.15 -37.83 0.42 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' B' ' 65' ' ' GLU . 99.5 mttt -99.05 144.45 28.18 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.644 0.259 . . . . 0.0 110.445 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.2 mmm -65.0 -91.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.648 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.578 ' HG2' HG13 ' B' ' 70' ' ' VAL . 88.4 tttt -93.7 -99.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.859 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.578 HG13 ' HG2' ' B' ' 69' ' ' LYS . 24.3 m -86.53 -149.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.846 179.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 36.7 p -134.64 171.62 14.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.601 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.25 -44.69 92.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.586 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.516 HG13 HG21 ' B' ' 8' ' ' VAL . 55.9 t -61.39 -44.88 99.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.646 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' B' ' 58' ' ' LEU . 32.5 mt -61.66 -39.6 91.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 -178.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.5 -47.57 90.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.311 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.499 ' OE2' ' OE1' ' A' ' 78' ' ' GLN . 51.0 tp10 -58.84 -45.84 89.1 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.326 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.26 99.4 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.921 0.391 . . . . 0.0 110.441 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.507 ' OE1' ' OE2' ' C' ' 76' ' ' GLU . 85.6 mt-30 -62.84 -39.07 93.22 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.25 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.512 ' O ' HG23 ' B' ' 83' ' ' THR . 44.3 tp -58.24 -47.54 83.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.407 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.71 -47.99 67.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.761 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.445 HD21 ' HB1' ' B' ' 51' ' ' ALA . 14.6 mt -61.43 -45.14 95.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.842 -178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.2 mmm -62.04 -43.52 98.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.181 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.512 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.9 p -63.49 -46.94 83.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.172 179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 76.8 p -62.3 -49.85 73.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.641 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.59 -48.11 80.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.416 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -61.48 -45.18 95.35 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.168 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.26 -47.26 86.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.831 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.12 -45.43 87.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.247 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.94 -43.19 99.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.182 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.31 -42.56 96.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.065 0.459 . . . . 0.0 110.035 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.526 HD12 ' HB1' ' B' ' 22' ' ' ALA . 78.2 mt -60.6 -41.61 88.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.237 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.454 ' OG1' ' SD ' ' B' ' 41' ' ' MET . 90.0 m -57.38 -45.0 84.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.092 0.472 . . . . 0.0 109.929 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.2 -42.52 96.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.499 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.11 -43.0 95.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.49 -42.78 95.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.517 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -60.93 -39.44 89.43 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' B' ' 97' ' ' LEU . 85.0 mt -62.09 -41.62 98.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.766 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.456 ' CE1' HD11 ' B' ' 26' ' ' LEU . 47.2 m170 -58.18 -40.43 81.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.795 179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -60.98 -38.55 86.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.15 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.45 -36.29 83.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.247 179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' B' ' 103' ' ' ALA . 85.7 mt -82.19 -8.5 59.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.353 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' B' ' 101' ' ' LEU . 98.9 mttt 38.17 -89.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.611 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . 0.595 ' N ' ' O ' ' B' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.543 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -61.05 -37.12 81.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.6 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.2 mm-40 -60.14 -79.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.443 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.656 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.3 mt -37.96 -36.07 0.18 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.427 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -64.83 -47.46 77.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.799 0.333 . . . . 0.0 110.371 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' C' ' 3' ' ' GLU . 80.8 tt0 -66.79 -36.98 83.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.286 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.43 HG11 HD11 ' C' ' 58' ' ' LEU . 72.8 t -63.84 -42.29 95.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.407 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.656 HG23 ' O ' ' C' ' 4' ' ' LEU . 75.0 t -60.42 -45.01 97.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.97 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mtp -59.25 -42.3 90.8 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.34 -41.93 97.94 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' C' ' 11' ' ' LEU . 32.8 mt -62.79 -43.12 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 110.34 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.53 ' CD1' ' HZ1' ' B' ' 69' ' ' LYS . 96.9 mt -63.54 -43.8 98.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.754 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 88.6 mt -63.64 -44.46 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.037 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.484 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 49.7 t-20 -61.1 -45.93 92.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.752 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.7 t -60.72 -43.58 97.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.147 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.16 -43.0 97.77 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -62.88 -44.24 96.63 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.46 76.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.75 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.58 -45.06 95.35 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -57.0 -44.85 83.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.89 -41.57 98.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.741 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.521 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.71 -47.96 80.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -60.53 -41.37 94.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.506 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.19 93.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.31 -42.47 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.568 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.456 HD11 ' CE1' ' C' ' 98' ' ' HIS . 56.8 tp -61.68 -44.98 95.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.478 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.12 -42.13 72.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -60.67 -40.89 93.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.896 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.95 94.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.796 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.73 -29.8 70.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.102 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -79.75 -4.54 52.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.378 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.97 12.81 76.15 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -96.69 80.64 3.09 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.796 0.331 . . . . 0.0 110.273 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -65.01 -34.52 78.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.489 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.51 -48.81 77.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.026 0.441 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.8 -35.26 80.2 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.404 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.81 77.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.436 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -61.76 -42.67 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.583 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.741 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -65.16 -41.15 94.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.527 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.464 ' SD ' ' OG1' ' C' ' 92' ' ' THR . 3.3 mmt -62.46 -41.23 98.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.607 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -62.06 -44.47 96.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.437 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -62.86 -41.15 99.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.323 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.3 p -61.89 -45.24 94.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.537 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.09 -42.4 98.44 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.313 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.9 mtp -61.58 -42.51 98.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.404 0.621 . . . . 0.0 110.523 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.59 99.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.369 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . . . . . . . . . 90.4 mt -65.86 -39.98 91.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.769 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -60.79 -41.41 95.54 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.411 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.41 -40.16 93.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.08 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.484 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -67.04 -43.93 81.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.395 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.606 ' NE2' ' CB ' ' D' ' 312' ' ' ASN . 84.6 t60 -62.53 -38.3 89.45 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.377 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.41 -43.22 99.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.266 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 69.8 t -65.02 -43.2 96.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.003 0.43 . . . . 0.0 109.97 179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -60.51 -42.24 95.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.273 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.993 HG21 HG22 ' D' ' 356' ' ' THR . 91.4 m -56.9 -43.43 81.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.126 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -60.42 -39.89 89.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.511 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.489 ' HB3' HD21 ' C' ' 74' ' ' LEU . 95.3 mt -68.84 -39.31 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.801 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.7 -39.96 83.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.569 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 67.3 mm-40 -84.14 -12.24 55.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.475 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.6 -16.35 42.99 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -75.31 122.15 23.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.817 0.342 . . . . 0.0 110.484 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.66 141.6 58.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.485 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . 0.507 ' O ' ' O ' ' C' ' 67' ' ' LYS . . . -87.3 -3.24 82.15 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' C' ' 67' ' ' LYS . 81.0 tt0 -68.96 135.37 50.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.728 0.299 . . . . 0.0 110.578 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.11 -37.38 0.42 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.508 ' H ' ' C ' ' C' ' 65' ' ' GLU . 99.5 mttt -99.28 144.16 28.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.618 0.247 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mmm -64.87 -91.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.587 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.577 ' HG2' HG13 ' C' ' 70' ' ' VAL . 88.1 tttt -93.79 -99.8 0.14 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.577 HG13 ' HG2' ' C' ' 69' ' ' LYS . 24.5 m -86.64 -150.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.771 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.419 ' O ' HG23 ' C' ' 75' ' ' VAL . 37.6 p -133.6 173.79 11.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.535 -178.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.34 -45.33 91.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.721 -177.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.526 HG13 HG21 ' C' ' 8' ' ' VAL . 54.1 t -62.35 -45.22 99.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 130.075 3.35 . . . . 0.0 110.621 -178.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' C' ' 58' ' ' LEU . 38.2 mt -63.44 -39.44 94.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.086 0.469 . . . . 0.0 110.971 177.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 71' ' ' SER . 55.4 t -59.82 -48.2 88.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.244 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.507 ' OE2' ' OE1' ' B' ' 78' ' ' GLN . 50.4 tp10 -58.84 -45.83 89.12 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.34 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.48 99.51 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.83 0.348 . . . . 0.0 110.434 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -62.77 -39.09 93.09 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.291 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.499 ' O ' HG23 ' C' ' 83' ' ' THR . 44.8 tp -58.25 -47.52 83.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.472 -179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -67.81 -48.21 66.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . 0.445 HD21 ' HB1' ' C' ' 51' ' ' ALA . 15.0 mt -60.99 -45.28 95.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.804 -178.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.91 -43.15 99.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.392 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.499 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.9 p -64.28 -46.34 84.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.186 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -62.84 -49.45 74.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.614 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.2 ttp -57.87 -48.09 80.82 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.496 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.7 tp -61.5 -45.35 94.61 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.109 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.29 85.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.979 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.28 -45.4 87.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.234 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.52 -43.6 98.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.155 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.99 -42.78 97.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.175 0.512 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.521 HD12 ' HB1' ' C' ' 22' ' ' ALA . 78.6 mt -60.43 -41.58 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.422 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.464 ' OG1' ' SD ' ' C' ' 41' ' ' MET . 90.6 m -57.36 -44.98 84.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.064 0.459 . . . . 0.0 109.926 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -64.36 -42.38 96.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.476 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.26 -42.93 96.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 91.5 mt -61.44 -43.0 96.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.528 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.52 -39.7 88.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.706 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' C' ' 97' ' ' LEU . 85.1 mt -61.98 -41.5 98.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.89 179.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.456 ' CE1' HD11 ' C' ' 26' ' ' LEU . 47.2 m170 -58.08 -40.6 81.47 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.92 -38.73 86.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.07 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.29 -36.22 83.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.207 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . 0.595 ' O ' ' N ' ' C' ' 103' ' ' ALA . 85.7 mt -82.41 -8.66 59.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.315 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' C' ' 101' ' ' LEU . 99.0 mttt 38.53 -89.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.494 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . 0.595 ' N ' ' O ' ' C' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.511 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.54 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.705 0 CA-C-O 121.8 0.81 . . . . 0.0 108.994 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.459 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.86 143.02 36.54 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.01 156.3 38.56 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.124 -0.985 . . . . 0.0 109.544 179.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.14 149.22 28.54 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.24 19.02 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.986 -1.071 . . . . 0.0 108.441 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.88 144.31 19.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.2 m -96.67 136.6 36.97 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.09 0.948 . . . . 0.0 110.197 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -84.96 114.34 24.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.4 p -106.93 -4.26 19.31 Favored 'General case' 0 C--N 1.266 -3.047 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.806 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.55 141.83 85.71 Favored Pre-proline 0 N--CA 1.499 2.021 0 O-C-N 119.629 -1.919 . . . . 0.0 110.602 178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -45.58 -47.57 13.22 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 124.734 3.622 . . . . 0.0 114.123 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.544 ' CG ' ' NE2' ' C' ' 52' ' ' HIS . 99.5 m-20 -102.13 27.49 6.61 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 116.104 -2.238 . . . . 0.0 108.817 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.96 -142.29 47.47 Favored Glycine 0 N--CA 1.497 2.707 0 C-N-CA 117.692 -2.194 . . . . 0.0 109.548 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.8 tp -90.76 75.97 6.46 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.921 -1.34 . . . . 0.0 109.533 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.67 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.5 p80 -69.74 175.88 3.97 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 117.941 -1.503 . . . . 0.0 112.155 -178.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 65.1 p -39.07 -65.83 0.34 Allowed 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 117.299 2.333 . . . . 0.0 117.299 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.446 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 2.0 tmm_? -57.08 -52.27 75.37 Favored Pre-proline 0 N--CA 1.493 1.71 0 C-N-CA 120.166 -0.614 . . . . 0.0 112.491 -177.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.54 -32.17 59.45 Favored 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 120.49 0.794 . . . . 0.0 111.524 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.48 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.94 -38.96 87.12 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 -179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.513 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.85 -39.74 72.76 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 178.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.87 -39.41 94.14 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 117.955 -1.498 . . . . 0.0 109.539 177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.436 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.69 -45.33 93.28 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 122.63 1.205 . . . . 0.0 108.713 -177.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.48 HG23 ' O ' ' D' ' 319' ' ' ALA . 55.0 t -62.6 -42.23 95.16 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.709 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.609 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.3 mttt -63.88 -40.32 96.26 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.271 -0.893 . . . . 0.0 109.793 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.538 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.74 -39.64 80.23 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.457 -0.777 . . . . 0.0 109.591 177.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.07 91.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.632 -1.292 . . . . 0.0 109.412 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.31 -16.19 43.29 Favored 'General case' 0 N--CA 1.51 2.573 0 O-C-N 121.299 -0.875 . . . . 0.0 113.361 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.62 86.05 Favored Glycine 0 N--CA 1.479 1.536 0 O-C-N 119.875 -1.765 . . . . 0.0 109.269 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.41 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.37 32.81 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.25 -1.735 . . . . 0.0 109.99 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.7 p -75.55 -30.11 59.62 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.202 -0.936 . . . . 0.0 112.359 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.82 158.63 10.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 119.838 -1.789 . . . . 0.0 112.79 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.583 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -79.01 130.2 35.27 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 102.813 -3.032 . . . . 0.0 102.813 171.26 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.65 136.67 60.12 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.381 0 CA-C-O 122.185 0.993 . . . . 0.0 109.299 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.9 m -125.04 143.16 51.05 Favored 'General case' 0 C--N 1.285 -2.232 0 CA-C-O 123.123 1.44 . . . . 0.0 109.934 178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.437 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.09 129.92 61.49 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.46 119.57 26.4 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 120.829 -1.169 . . . . 0.0 108.949 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.57 122.54 39.12 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.588 -0.695 . . . . 0.0 109.879 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.75 38.98 24.46 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.858 -1.151 . . . . 0.0 112.768 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.63 11.01 83.57 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 119.928 -1.732 . . . . 0.0 112.511 177.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.85 136.33 54.52 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 177.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.72 158.56 32.96 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-O 123.744 1.735 . . . . 0.0 112.504 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.38 31.33 Favored 'General case' 0 C--N 1.279 -2.497 0 CA-C-N 112.535 -2.121 . . . . 0.0 108.608 177.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.63 136.01 48.82 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 173.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.437 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.99 -6.77 47.64 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.702 -1.249 . . . . 0.0 110.707 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.43 12.94 31.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.615 -1.303 . . . . 0.0 109.386 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 89.6 p -133.13 104.16 6.37 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 122.176 0.988 . . . . 0.0 110.087 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.475 HD22 ' CE ' ' A' ' 9' ' ' MET . 60.4 tp -57.21 -37.95 72.99 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.961 178.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -58.81 -51.4 70.15 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.622 -1.298 . . . . 0.0 113.055 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.09 -32.48 70.56 Favored 'General case' 0 C--O 1.213 -0.824 0 O-C-N 119.583 -1.948 . . . . 0.0 109.179 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.71 -33.77 75.78 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.004 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.553 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 8.5 tp-100 -67.66 -10.44 52.27 Favored 'General case' 0 C--N 1.295 -1.788 0 O-C-N 121.657 -0.652 . . . . 0.0 109.899 -177.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 40.9 p -89.8 -7.74 53.7 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 118.091 -1.444 . . . . 0.0 110.939 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . 0.503 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 93.4 mt -93.31 159.35 15.3 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.168 -0.958 . . . . 0.0 110.127 -178.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.76 104.81 2.97 Favored Glycine 0 N--CA 1.484 1.9 0 N-CA-C 106.925 -2.47 . . . . 0.0 106.925 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.5 mt -119.57 47.42 1.71 Allowed 'General case' 0 C--N 1.31 -1.149 0 O-C-N 120.727 -1.455 . . . . 0.0 107.437 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.862 HG22 HG21 ' C' ' 56' ' ' THR . 7.6 p -81.46 172.55 13.38 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.209 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -60.74 140.9 57.39 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.317 -0.953 . . . . 0.0 109.859 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.18 78.86 Favored Glycine 0 N--CA 1.501 3.024 0 C-N-CA 119.971 -1.109 . . . . 0.0 111.358 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.7 m -84.44 135.88 34.08 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 120.909 -1.347 . . . . 0.0 110.619 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.9 t -96.56 123.7 48.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 176.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.493 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.13 160.08 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 C-N-CA 117.4 -1.72 . . . . 0.0 110.658 178.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.9 128.45 54.93 Favored 'General case' 0 C--O 1.215 -0.732 0 O-C-N 120.509 -1.37 . . . . 0.0 107.603 175.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.3 mt -107.87 121.38 60.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 105.441 -2.059 . . . . 0.0 105.441 176.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.418 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.59 147.26 50.71 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 -179.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.44 47.16 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.464 -1.295 . . . . 0.0 109.693 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.54 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.81 6.44 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 118.62 -1.232 . . . . 0.0 108.099 178.148 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.24 -170.25 40.12 Favored Glycine 0 C--N 1.296 -1.686 0 C-N-CA 118.003 -2.046 . . . . 0.0 110.378 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.52 -40.54 83.18 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-N 114.416 -0.892 . . . . 0.0 112.156 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.02 36.71 3.58 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 118.98 -2.325 . . . . 0.0 108.615 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.48 -33.46 65.96 Favored 'General case' 0 N--CA 1.522 3.129 0 N-CA-C 116.793 2.146 . . . . 0.0 116.793 -173.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.446 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.86 -45.69 27.42 Favored 'General case' 0 N--CA 1.509 2.501 0 O-C-N 119.549 -1.969 . . . . 0.0 110.956 -176.614 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.814 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.72 97.84 Favored 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 178.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.49 77.64 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 117.545 -1.662 . . . . 0.0 110.03 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 68.0 t -66.79 -42.26 89.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 122.253 1.025 . . . . 0.0 109.299 -178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -55.85 -47.96 76.36 Favored 'General case' 0 C--N 1.286 -2.154 0 CA-C-O 122.015 0.912 . . . . 0.0 108.746 -178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.814 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.76 -38.36 76.73 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.717 -178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.6 mt -75.51 -28.69 59.24 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.342 -1.474 . . . . 0.0 110.909 -174.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.52 71.37 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.425 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.29 62.73 Favored 'General case' 0 C--N 1.292 -1.921 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.538 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.23 -45.21 84.09 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 118.985 -1.086 . . . . 0.0 110.516 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.493 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.31 -37.45 85.61 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.97 -1.081 . . . . 0.0 111.482 -177.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.92 -31.75 61.61 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.135 -0.978 . . . . 0.0 110.279 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.9 -32.37 45.75 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.512 -0.743 . . . . 0.0 111.324 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.09 125.49 12.33 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 124.396 2.046 . . . . 0.0 112.916 178.678 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.806 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.7 mm-40 . . . . . 0 C--N 1.278 -2.543 0 CA-C-N 111.108 -2.769 . . . . 0.0 110.124 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -57.64 -35.55 70.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.501 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.3 mt-10 -59.38 -76.21 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.457 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.616 ' O ' HG23 ' A' ' 8' ' ' VAL . 98.0 mt -37.86 -38.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.386 -179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.84 -47.01 79.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.929 0.395 . . . . 0.0 110.296 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 3' ' ' GLU . 84.1 tt0 -67.66 -36.33 80.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.284 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.413 HG11 HD11 ' A' ' 58' ' ' LEU . 96.6 t -64.19 -41.9 93.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.404 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.624 HG21 HG13 ' A' ' 73' ' ' VAL . 66.2 t -60.56 -44.28 96.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.894 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.475 ' CE ' HD22 ' D' ' 347' ' ' LEU . 89.5 mtp -58.88 -41.44 87.11 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.431 ' HA2' ' HZ1' ' D' ' 324' ' ' LYS . . . -64.25 -42.34 97.91 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 11' ' ' LEU . 34.2 mt -62.79 -42.89 99.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.245 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.08 -43.96 99.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.728 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.609 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 90.3 mt -63.44 -44.33 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.948 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -61.39 -46.16 91.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.794 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.2 t -60.43 -44.22 95.99 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.79 -43.61 97.45 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.05 -44.91 94.53 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.28 -49.74 76.08 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -60.55 -45.9 92.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.15 -44.51 79.3 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.86 -41.46 97.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.69 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -57.43 -49.23 76.89 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -60.04 -40.79 90.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.634 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.57 97.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.729 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.96 -42.7 85.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.651 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.49 -45.21 95.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.44 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.32 -41.46 72.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.4 -41.64 97.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.8 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.59 94.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.712 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.29 -29.52 69.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.141 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -80.7 -4.59 54.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.436 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.01 13.41 79.39 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.27 81.74 3.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.703 0.287 . . . . 0.0 110.282 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -64.95 -34.71 79.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.661 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.49 82.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.043 0.449 . . . . 0.0 110.73 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.87 -35.57 81.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.348 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.87 -47.47 80.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.564 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -61.47 -43.7 98.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.623 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.6 99.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.791 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.53 -41.09 93.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.49 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.582 ' O ' ' NH2' ' A' ' 88' ' ' ARG . 90.9 mtp -62.08 -42.23 98.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.633 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -61.25 -44.39 97.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.955 0.407 . . . . 0.0 110.544 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.72 -42.48 95.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.221 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.0 m -60.3 -47.7 84.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.55 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -59.83 -42.89 94.56 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.332 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.5 mtp -61.48 -42.12 98.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.207 0.527 . . . . 0.0 110.532 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.22 97.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.214 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' A' ' 18' ' ' ALA . 88.6 mt -65.15 -39.93 93.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.69 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.08 -41.41 96.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.26 -179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -64.63 -39.98 94.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.034 0.445 . . . . 0.0 110.217 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.23 -46.03 74.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.84 -39.02 87.5 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.425 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 53' ' ' LEU . 37.6 mt -60.54 -43.94 96.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.292 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.61 -43.48 96.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.073 0.463 . . . . 0.0 110.02 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -59.84 -43.41 94.62 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.227 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 m -56.45 -42.88 78.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.003 0.43 . . . . 0.0 110.022 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.57 -40.5 94.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.511 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.413 HD11 HG11 ' A' ' 7' ' ' VAL . 97.7 mt -68.37 -39.75 81.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.733 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.07 -40.02 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -83.32 -13.16 55.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.486 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.05 -18.19 37.84 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 68.1 t0 -97.32 -31.73 12.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.674 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.66 136.78 53.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.506 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.34 -165.09 11.36 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -88.76 113.23 24.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.363 . . . . 0.0 110.738 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.01 0.18 75.06 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -98.24 152.25 19.61 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.669 0.271 . . . . 0.0 110.457 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 99.2 mmm -69.29 137.33 52.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -93.14 -1.45 56.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 70' ' ' VAL . 30.3 m -106.4 123.4 61.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.698 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.653 ' O ' HG23 ' A' ' 75' ' ' VAL . 86.0 p -131.13 165.25 23.71 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.61 ' O ' HD13 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -56.99 -48.36 78.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.638 -179.503 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.624 HG13 HG21 ' A' ' 8' ' ' VAL . 53.7 t -63.08 -47.13 94.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.542 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.58 -40.38 96.7 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.921 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 71' ' ' SER . 54.5 t -59.15 -47.53 89.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.189 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -59.35 -45.27 91.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.787 0.327 . . . . 0.0 110.324 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.91 93.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.613 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.07 -39.36 94.49 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.125 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.514 HD21 ' SD ' ' C' ' 82' ' ' MET . 35.1 tp -56.49 -48.34 77.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.427 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -67.62 -46.95 71.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.727 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.42 -47.45 84.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.885 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 94.0 mtp -62.23 -44.71 95.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.175 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.9 p -62.63 -45.37 93.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.118 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.8 p -62.34 -47.24 85.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.511 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.529 ' C ' ' SD ' ' A' ' 85' ' ' MET . 16.3 tmm? -59.05 -47.77 84.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.556 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.2 tp -61.21 -45.36 94.9 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.102 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.85 -45.05 91.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.89 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.582 ' NH2' ' O ' ' A' ' 41' ' ' MET . 15.2 tpt85 -61.67 -45.26 94.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.136 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.85 -47.56 85.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.09 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 91.9 mt -64.81 -40.44 95.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.225 0.536 . . . . 0.0 109.869 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.495 HD13 ' HB1' ' A' ' 22' ' ' ALA . 33.6 mt -60.7 -41.98 90.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 73.5 m -57.47 -46.05 84.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.005 0.431 . . . . 0.0 109.849 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' CD ' ' CD2' ' B' ' 26' ' ' LEU . 99.1 mt-10 -62.51 -42.8 99.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.636 179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.543 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.7 mt -60.06 -43.63 95.27 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.4 mt -61.28 -43.16 96.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.508 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -60.11 -39.51 86.48 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.819 HD21 ' NE2' ' B' ' 98' ' ' HIS . 39.4 mt -62.19 -42.15 99.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.856 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.697 ' NE2' HD21 ' C' ' 97' ' ' LEU . 70.6 m80 -59.93 -40.88 90.44 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -64.36 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.189 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.25 -39.99 94.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.211 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.91 -40.62 96.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.354 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -87.65 -7.13 57.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.455 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.537 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -58.09 -35.58 71.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.0 mt-10 -59.22 -76.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.601 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.4 mt -37.98 -38.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.474 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.0 -46.89 79.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.918 0.39 . . . . 0.0 110.333 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 3' ' ' GLU . 84.0 tt0 -67.67 -36.23 80.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.183 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.419 HG11 HD11 ' B' ' 58' ' ' LEU . 96.3 t -64.2 -42.35 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.603 HG21 HG13 ' B' ' 73' ' ' VAL . 68.3 t -60.24 -44.06 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.884 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 89.3 mtp -59.18 -41.42 88.45 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.55 -42.21 97.54 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.7 mt -62.59 -42.78 99.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.752 0.31 . . . . 0.0 110.361 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.48 -44.09 98.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.666 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.07 -44.41 99.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.972 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -61.25 -46.13 91.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.873 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 38.5 t -60.49 -44.31 96.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.129 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.71 -43.09 98.33 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.2 -45.45 91.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.449 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.88 -49.53 76.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.906 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.67 -45.75 92.94 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -56.24 -44.33 79.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.06 -41.59 98.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.667 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.508 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -57.53 -48.93 77.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -60.33 -40.78 91.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.647 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.52 -43.73 96.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.718 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.84 84.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.605 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.427 ' CD2' ' CD ' ' A' ' 93' ' ' GLU . 58.2 tp -61.51 -45.14 95.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.287 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.37 -41.56 72.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -61.17 -41.54 96.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.864 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.39 96.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.684 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.27 -29.54 69.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.091 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -80.83 -4.43 54.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.376 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.88 13.37 79.7 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.31 81.49 3.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.75 0.309 . . . . 0.0 110.287 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -64.8 -34.83 79.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.526 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.66 81.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.33 80.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.466 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.11 78.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.509 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.89 -43.95 97.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.593 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.69 99.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.684 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.7 mmm -65.72 -40.73 92.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.525 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.592 ' O ' ' NH2' ' B' ' 88' ' ' ARG . 90.8 mtp -62.19 -42.42 99.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.558 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.99 -44.68 97.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.504 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -64.41 -42.51 96.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 67.1 m -60.48 -47.77 84.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.544 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -59.5 -43.04 93.45 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.26 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.6 mtp -61.35 -42.27 98.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.282 0.563 . . . . 0.0 110.619 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.96 -41.93 97.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.449 HD21 ' CB ' ' B' ' 18' ' ' ALA . 87.7 mt -65.55 -39.66 91.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.695 179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.3 -40.94 96.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.326 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -65.15 -39.5 93.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.177 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.9 73.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.405 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -60.89 -39.24 88.5 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.266 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.27 -44.21 95.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.324 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.56 -43.12 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.078 0.466 . . . . 0.0 110.003 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -60.3 -43.28 96.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.26 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 18.8 m -56.48 -42.96 79.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.923 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.4 -40.68 95.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.887 0.375 . . . . 0.0 110.523 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.419 HD11 HG11 ' B' ' 7' ' ' VAL . 97.8 mt -68.29 -39.74 82.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.13 -40.07 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.757 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -83.47 -12.77 55.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.556 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.05 -18.73 35.92 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.477 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 68.1 t0 -97.13 -31.48 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.55 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.91 136.51 52.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.434 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.79 -164.97 11.41 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -89.11 113.37 24.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.343 . . . . 0.0 110.572 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.05 0.01 74.7 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -98.05 152.82 18.9 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.645 0.259 . . . . 0.0 110.521 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 99.1 mmm -70.12 138.09 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -93.73 -0.74 55.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 70' ' ' VAL . 27.1 m -108.08 123.48 63.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.684 ' O ' HG23 ' B' ' 75' ' ' VAL . 97.1 p -131.04 166.86 20.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.521 -178.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.608 HD13 ' O ' ' B' ' 72' ' ' LEU . 0.2 OUTLIER -58.78 -48.73 80.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.571 179.599 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.603 HG13 HG21 ' B' ' 8' ' ' VAL . 52.5 t -62.09 -46.72 95.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.654 -178.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 87.7 mt -62.52 -40.31 96.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.046 0.45 . . . . 0.0 110.949 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.684 HG23 ' O ' ' B' ' 71' ' ' SER . 54.8 t -59.27 -47.58 89.9 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.254 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.601 ' OE2' ' CE1' ' B' ' 80' ' ' HIS . 15.6 tm-20 -59.5 -44.98 92.97 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.325 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.92 94.05 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.862 0.363 . . . . 0.0 110.424 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -63.35 -39.03 93.43 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.166 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 83' ' ' THR . 34.5 tp -56.72 -48.06 78.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.413 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.601 ' CE1' ' OE2' ' B' ' 76' ' ' GLU . 63.4 m80 -67.96 -46.63 70.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.753 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.0 mt -62.56 -47.27 84.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.851 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 93.8 mtp -62.49 -44.78 95.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.205 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.511 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.0 p -62.57 -45.31 93.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.197 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 79.0 p -62.27 -47.31 84.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.601 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.53 ' C ' ' SD ' ' B' ' 85' ' ' MET . 16.3 tmm? -59.13 -47.87 83.7 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.532 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 51.6 tp -60.95 -45.42 94.79 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.147 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.72 88.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.938 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.592 ' NH2' ' O ' ' B' ' 41' ' ' MET . 15.1 tpt85 -61.07 -44.95 96.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.233 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.24 -47.63 85.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.189 -179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 90' ' ' LEU . 92.6 mt -64.69 -40.38 95.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.176 0.513 . . . . 0.0 110.051 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.508 HD13 ' HB1' ' B' ' 22' ' ' ALA . 33.7 mt -60.49 -42.04 89.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.192 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 72.4 m -57.67 -45.65 85.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.088 0.47 . . . . 0.0 109.868 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.435 ' CD ' ' CD2' ' C' ' 26' ' ' LEU . 98.7 mt-10 -62.95 -42.36 99.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.491 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.54 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 14.6 mt -60.6 -43.34 97.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.451 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.44 -43.09 96.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.461 178.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -60.22 -39.24 85.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.737 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.814 HD21 ' NE2' ' C' ' 98' ' ' HIS . 37.6 mt -62.77 -41.75 99.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.772 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.819 ' NE2' HD21 ' A' ' 97' ' ' LEU . 71.0 m80 -60.28 -40.88 91.99 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -64.38 -38.4 90.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.133 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -62.29 -39.92 94.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.166 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.63 -41.02 98.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -87.38 -7.12 58.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.572 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.41 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.489 -179.863 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -58.02 -35.54 71.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.578 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' C' ' 6' ' ' GLU . 96.9 mt-10 -59.47 -76.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.386 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.613 ' O ' HG23 ' C' ' 8' ' ' VAL . 97.6 mt -37.79 -38.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.385 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.0 -47.12 78.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.377 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' C' ' 3' ' ' GLU . 84.4 tt0 -67.22 -36.18 81.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.282 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.53 -41.56 92.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.613 HG23 ' O ' ' C' ' 4' ' ' LEU . 67.4 t -60.87 -44.16 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.996 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mtp -59.13 -41.26 87.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.19 -42.63 97.89 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.63 -42.61 99.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.353 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.47 -44.0 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.731 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.35 -44.0 98.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.124 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.426 HD22 ' HA ' ' C' ' 14' ' ' ASN . 7.2 m120 -61.67 -45.93 91.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.824 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 t -60.66 -44.23 96.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.158 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.62 -43.58 97.74 Favored Glycine 0 CA--C 1.52 0.399 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -63.1 -44.7 94.95 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.46 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.31 -50.11 74.77 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.45 -45.53 93.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -56.39 -44.46 80.29 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.89 -41.37 97.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.722 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.509 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -57.55 -48.96 77.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -60.23 -40.81 91.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.528 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.2 99.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.705 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.82 86.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.621 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.435 ' CD2' ' CD ' ' B' ' 93' ' ' GLU . 58.0 tp -61.72 -44.63 96.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.443 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -55.89 -41.24 74.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.546 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.6 -40.88 96.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.919 179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.13 96.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.825 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.98 -29.11 70.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.062 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.87 -4.44 54.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.481 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.87 13.41 79.62 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -95.35 81.5 3.61 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.755 0.312 . . . . 0.0 110.238 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -64.88 -35.04 79.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.459 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.98 81.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.65 81.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.38 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.15 78.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.45 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -60.88 -43.79 97.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.559 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.09 99.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.5 mmm -65.37 -40.58 93.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.513 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.588 ' O ' ' NH2' ' C' ' 88' ' ' ARG . 91.2 mtp -62.46 -42.35 99.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.591 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -61.21 -44.44 97.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.448 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.75 -42.33 95.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.343 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -60.65 -47.51 85.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.479 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -59.71 -43.16 94.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.383 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.13 -41.92 97.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.313 0.577 . . . . 0.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.31 96.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.319 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.46 HD21 ' CB ' ' C' ' 18' ' ' ALA . 88.2 mt -65.23 -40.1 93.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.742 179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.79 -41.34 95.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.356 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -64.8 -40.25 94.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.074 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.1 -45.98 75.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.423 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.544 ' NE2' ' CG ' ' D' ' 312' ' ' ASN . 59.7 t-80 -60.95 -38.96 87.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.357 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 mt -60.78 -43.51 97.99 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.338 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 67.0 t -64.86 -43.24 96.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.415 . . . . 0.0 109.922 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -60.29 -43.25 96.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.157 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.862 HG21 HG22 ' D' ' 356' ' ' THR . 17.5 m -56.54 -42.92 79.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.953 0.406 . . . . 0.0 110.183 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.55 -40.27 94.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.546 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' C' ' 58' ' ' LEU . 97.8 mt -68.38 -39.65 81.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.797 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 97.0 mt -69.37 -39.85 79.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.79 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.553 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 71.9 mm-40 -83.52 -12.79 55.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.426 -179.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -94.31 -18.31 36.68 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 68.2 t0 -97.3 -31.88 12.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.755 0.312 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.69 136.61 53.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.475 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.98 -164.76 11.33 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -88.89 113.44 24.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.709 0.29 . . . . 0.0 110.648 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.04 -0.12 74.13 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -97.91 152.67 18.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.577 0.227 . . . . 0.0 110.597 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 99.1 mmm -70.01 138.38 52.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.501 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -94.02 -0.75 55.3 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.79 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.471 HG23 ' O ' ' C' ' 70' ' ' VAL . 27.1 m -107.68 123.16 62.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.793 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.69 ' O ' HG23 ' C' ' 75' ' ' VAL . 93.3 p -130.28 168.7 16.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.501 -178.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.685 ' O ' HD13 ' C' ' 72' ' ' LEU . 0.3 OUTLIER -58.79 -49.1 78.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.671 -177.503 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.555 HG13 HG21 ' C' ' 8' ' ' VAL . 50.3 t -62.81 -47.12 94.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 130.084 3.354 . . . . 0.0 110.571 -177.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.47 -39.98 94.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.058 0.456 . . . . 0.0 110.989 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.69 HG23 ' O ' ' C' ' 71' ' ' SER . 53.6 t -59.68 -48.18 88.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.215 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.579 ' OE2' ' CE1' ' C' ' 80' ' ' HIS . 15.4 tm-20 -59.32 -45.23 91.91 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.303 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.84 -44.38 93.35 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.925 0.393 . . . . 0.0 110.506 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -62.94 -39.21 93.93 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.259 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.5 ' O ' HG23 ' C' ' 83' ' ' THR . 34.0 tp -56.52 -48.15 77.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.467 -179.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.579 ' CE1' ' OE2' ' C' ' 76' ' ' GLU . 62.5 m80 -67.97 -46.59 70.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.7 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 88.7 mt -62.59 -47.38 84.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.871 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . 0.514 ' SD ' HD21 ' A' ' 79' ' ' LEU . 94.0 mtp -62.36 -44.65 95.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.344 -179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.5 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.8 p -62.54 -45.84 91.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.18 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -61.8 -47.52 84.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.571 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . 0.528 ' C ' ' SD ' ' C' ' 85' ' ' MET . 16.4 tmm? -58.76 -48.11 82.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.468 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 51.9 tp -61.01 -45.27 95.51 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.094 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.47 89.18 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.001 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.588 ' NH2' ' O ' ' C' ' 41' ' ' MET . 15.3 tpt85 -61.5 -45.08 95.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.215 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -60.8 -47.82 84.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 110.149 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.73 -40.76 95.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.195 0.521 . . . . 0.0 110.037 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.509 HD13 ' HB1' ' C' ' 22' ' ' ALA . 33.3 mt -60.16 -41.9 88.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.418 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 69.7 m -57.72 -45.56 85.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.09 0.472 . . . . 0.0 109.938 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.12 -42.17 99.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.484 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.549 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.8 mt -60.63 -43.36 97.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.52 -43.11 96.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.553 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -60.0 -39.57 86.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.738 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.697 HD21 ' NE2' ' A' ' 98' ' ' HIS . 38.5 mt -62.23 -42.02 98.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.902 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.814 ' NE2' HD21 ' B' ' 97' ' ' LEU . 70.8 m80 -60.13 -40.9 91.39 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -64.39 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.156 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -62.15 -40.24 95.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.212 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 13.1 mt -63.45 -40.96 98.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.296 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -87.61 -7.1 57.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.498 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.357 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 121.873 0.844 . . . . 0.0 108.923 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.462 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.3 t80 -139.84 142.94 36.57 Favored 'General case' 0 C--N 1.287 -2.115 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.477 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.97 156.31 38.62 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 120.916 -1.115 . . . . 0.0 109.506 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.11 149.16 28.49 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.15 152.33 18.91 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.035 -1.041 . . . . 0.0 108.365 178.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.93 144.39 19.18 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 107.408 -1.33 . . . . 0.0 107.408 177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.4 m -96.64 136.55 37.01 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 122.092 0.949 . . . . 0.0 110.163 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.6 mt -84.95 114.33 24.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.92 -4.23 19.36 Favored 'General case' 0 C--N 1.265 -3.073 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.806 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.53 141.83 85.76 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 119.754 -1.841 . . . . 0.0 110.595 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -45.47 -47.71 12.77 Favored 'Trans proline' 0 C--N 1.312 -1.395 0 C-N-CA 124.746 3.631 . . . . 0.0 114.099 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -102.12 27.57 6.54 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 116.128 -2.229 . . . . 0.0 108.763 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.91 -141.21 47.72 Favored Glycine 0 N--CA 1.497 2.737 0 C-N-CA 117.645 -2.217 . . . . 0.0 109.565 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.6 81.77 3.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.92 -1.341 . . . . 0.0 109.489 -176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -80.33 176.21 9.97 Favored 'General case' 0 N--CA 1.495 1.779 0 C-N-CA 117.872 -1.531 . . . . 0.0 112.154 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 74.8 p -34.58 -65.88 0.19 Allowed 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 117.289 2.329 . . . . 0.0 117.289 -177.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.525 ' NH1' ' C ' ' A' ' 16' ' ' GLY . 4.5 tpt180 -55.73 -56.73 26.71 Favored Pre-proline 0 N--CA 1.493 1.694 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.566 -177.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.1 -32.13 64.29 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 C-N-CA 121.156 1.237 . . . . 0.0 111.578 -178.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.475 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.03 -38.84 86.62 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.234 -0.916 . . . . 0.0 109.464 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.79 72.57 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -63.94 -39.37 94.0 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 117.975 -1.49 . . . . 0.0 109.453 177.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.76 -45.28 93.41 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 122.586 1.184 . . . . 0.0 108.647 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.475 HG23 ' O ' ' D' ' 319' ' ' ALA . 56.4 t -62.61 -42.22 95.12 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.725 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -63.92 -40.27 96.09 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.74 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.535 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.84 -39.62 79.83 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.423 -0.798 . . . . 0.0 109.569 178.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.92 91.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.603 -1.31 . . . . 0.0 109.446 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.38 -16.29 44.91 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.85 -10.56 86.04 Favored Glycine 0 N--CA 1.48 1.581 0 O-C-N 119.93 -1.731 . . . . 0.0 109.308 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.404 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.48 143.38 32.79 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.32 -1.694 . . . . 0.0 110.039 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.6 -30.13 59.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.178 -0.951 . . . . 0.0 112.339 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 16.0 m -59.71 158.54 10.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 119.808 -1.807 . . . . 0.0 112.78 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.58 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.2 35.37 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 102.858 -3.016 . . . . 0.0 102.858 171.219 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.4 mt -126.62 136.59 60.36 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.393 0 CA-C-O 122.254 1.026 . . . . 0.0 109.309 -178.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.4 m -124.91 143.16 51.01 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 123.056 1.407 . . . . 0.0 110.009 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.8 t -108.02 129.9 61.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.713 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 173.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.9 m -127.41 119.55 26.43 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.9 -1.125 . . . . 0.0 108.988 -178.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.54 39.13 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.548 -0.72 . . . . 0.0 109.912 177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.83 38.97 24.7 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.895 -1.128 . . . . 0.0 112.745 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.01 83.62 Favored Glycine 0 N--CA 1.501 2.994 0 O-C-N 119.878 -1.764 . . . . 0.0 112.532 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.87 136.31 54.54 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 105.206 -2.146 . . . . 0.0 105.206 177.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.9 m -124.86 158.61 33.02 Favored 'General case' 0 C--N 1.276 -2.609 0 CA-C-O 123.761 1.743 . . . . 0.0 112.425 -176.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.71 151.35 31.31 Favored 'General case' 0 C--N 1.279 -2.489 0 CA-C-N 112.462 -2.154 . . . . 0.0 108.597 177.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.58 135.98 48.89 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 173.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.96 -6.73 47.26 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.656 -1.278 . . . . 0.0 110.736 179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.54 13.01 31.47 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 120.657 -1.277 . . . . 0.0 109.386 -177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.3 p -133.03 104.11 6.37 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.108 0.956 . . . . 0.0 110.188 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 49.7 tp -57.21 -37.91 72.92 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.971 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . 0.404 ' CZ ' ' OE2' ' A' ' 5' ' ' GLU . 21.2 m-85 -58.91 -51.36 70.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.652 -1.28 . . . . 0.0 113.094 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -70.04 -32.44 70.57 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 119.572 -1.955 . . . . 0.0 109.256 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.1 mt -62.8 -33.75 75.85 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 118.981 -1.088 . . . . 0.0 109.945 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.505 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 67.7 tp60 -67.63 -10.36 51.48 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.659 -0.651 . . . . 0.0 110.015 -177.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . 0.472 ' C ' ' OE1' ' C' ' 60' ' ' GLU . 33.6 p -89.83 -7.8 53.48 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 118.183 -1.407 . . . . 0.0 110.875 -178.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.0 mt -93.33 159.28 15.33 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.181 -0.949 . . . . 0.0 110.2 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.81 2.96 Favored Glycine 0 N--CA 1.486 1.993 0 N-CA-C 106.894 -2.482 . . . . 0.0 106.894 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.9 mt -119.55 47.4 1.72 Allowed 'General case' 0 C--N 1.308 -1.215 0 O-C-N 120.632 -1.511 . . . . 0.0 107.352 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 73.3 p -81.5 172.58 13.32 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.788 -1.165 . . . . 0.0 109.219 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -60.68 140.88 57.33 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 119.382 -0.927 . . . . 0.0 109.845 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.5 -3.26 78.75 Favored Glycine 0 N--CA 1.5 2.906 0 C-N-CA 120.057 -1.068 . . . . 0.0 111.322 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.42 135.93 34.06 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 120.892 -1.358 . . . . 0.0 110.634 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.7 t -96.52 123.64 48.89 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.489 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.08 160.11 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.305 0 C-N-CA 117.416 -1.714 . . . . 0.0 110.707 178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.9 128.36 54.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 120.502 -1.374 . . . . 0.0 107.547 175.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.2 mt -107.9 121.36 60.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.531 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 176.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.22 50.69 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.71 153.33 47.21 Favored 'General case' 0 C--N 1.293 -1.89 0 C-N-CA 118.582 -1.247 . . . . 0.0 109.801 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.07 110.8 6.46 Favored 'General case' 0 C--N 1.288 -2.092 0 C-N-CA 118.556 -1.257 . . . . 0.0 108.057 178.174 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.27 -170.33 40.17 Favored Glycine 0 C--N 1.295 -1.726 0 C-N-CA 118.025 -2.035 . . . . 0.0 110.358 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.4 -40.6 82.85 Favored 'General case' 0 C--N 1.276 -2.612 0 CA-C-N 114.384 -0.908 . . . . 0.0 112.18 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.09 36.83 3.53 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 115.87 -2.332 . . . . 0.0 108.531 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.3 -33.6 65.71 Favored 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 116.904 2.187 . . . . 0.0 116.904 -174.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.475 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.59 27.24 Favored 'General case' 0 N--CA 1.509 2.511 0 O-C-N 119.585 -1.947 . . . . 0.0 110.981 -176.557 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.798 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.48 -40.74 97.9 Favored 'General case' 0 C--N 1.283 -2.287 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.54 77.5 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.437 -1.705 . . . . 0.0 110.069 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.4 t -66.77 -42.24 89.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 CA-C-O 122.197 0.999 . . . . 0.0 109.291 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -55.86 -47.93 76.43 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-O 122.037 0.922 . . . . 0.0 108.734 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.798 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.76 -38.36 76.75 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.732 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.9 mt -75.51 -28.67 59.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.449 -1.407 . . . . 0.0 110.908 -174.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.48 71.27 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.413 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.87 -49.27 63.01 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.535 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.2 tp -57.21 -45.27 83.96 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.066 -1.054 . . . . 0.0 110.523 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.489 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.39 -37.31 85.26 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.893 -1.129 . . . . 0.0 111.518 -177.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.94 -31.83 61.6 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.039 -1.038 . . . . 0.0 110.223 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.32 45.86 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.554 -0.716 . . . . 0.0 111.35 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.02 125.51 12.27 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 124.315 2.007 . . . . 0.0 112.925 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.806 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 13.9 pt-20 . . . . . 0 C--N 1.277 -2.57 0 CA-C-N 111.128 -2.76 . . . . 0.0 110.128 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -61.64 -36.01 79.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.53 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 4' ' ' LEU . 79.3 mm-40 -60.1 -78.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.43 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.691 ' O ' HG23 ' A' ' 8' ' ' VAL . 96.3 mt -39.13 -36.69 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.401 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.404 ' OE2' ' CZ ' ' D' ' 348' ' ' PHE . 84.2 tt0 -63.49 -50.08 71.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.922 0.391 . . . . 0.0 110.28 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 3' ' ' GLU . 49.7 tp10 -66.5 -36.78 83.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.334 179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.494 HG11 HD11 ' A' ' 58' ' ' LEU . 73.2 t -63.45 -42.71 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.376 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 4' ' ' LEU . 76.3 t -60.34 -45.03 97.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.972 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.6 mtp -59.54 -41.66 90.58 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.36 -42.08 99.25 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.73 -43.26 97.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.26 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -63.16 -44.29 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.8 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.92 -44.23 97.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.985 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.528 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 47.0 t-20 -61.65 -45.47 93.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.811 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.4 p -60.03 -44.12 94.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.98 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.525 ' C ' ' NH1' ' D' ' 317' ' ' ARG . . . -63.91 -42.23 98.43 Favored Glycine 0 CA--C 1.521 0.44 0 N-CA-C 110.125 -1.19 . . . . 0.0 110.125 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.4 -43.38 97.71 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.492 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.38 -49.1 78.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.839 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.53 -45.77 92.61 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.7 m -55.0 -43.76 73.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.41 -41.03 98.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.65 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.16 -47.79 82.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.27 -41.88 89.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.63 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -42.13 91.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.698 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.75 -42.71 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.683 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.1 tp -61.78 -45.68 92.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.391 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -54.27 -43.59 71.13 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.84 -41.48 87.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.846 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.424 ' O ' ' OXT' ' A' ' 103' ' ' ALA . . . -59.61 -43.79 93.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.779 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.85 -30.93 70.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.094 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -82.54 -5.0 58.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.465 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.64 15.26 78.33 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -96.56 81.47 3.22 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.763 0.316 . . . . 0.0 110.275 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -65.07 -33.6 76.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.653 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.39 79.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 110.741 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.25 80.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.319 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.84 82.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.584 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.53 -42.61 99.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.6 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.92 99.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.796 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.7 mtt -66.08 -41.8 90.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.463 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.452 ' O ' ' OG ' ' A' ' 44' ' ' SER . 72.3 mtm -63.77 -41.85 97.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.645 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.53 -45.18 94.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 110.578 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.84 -41.18 97.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.166 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 41' ' ' MET . 77.5 p -61.15 -46.0 92.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.526 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HE ' ' NH2' ' A' ' 88' ' ' ARG . 42.2 ttm180 -59.89 -42.67 94.34 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.308 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.3 ttp -60.17 -43.55 95.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.185 0.516 . . . . 0.0 110.639 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.21 -41.77 99.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.174 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.492 HD21 ' CB ' ' A' ' 18' ' ' ALA . 94.9 mt -65.24 -40.27 93.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.684 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.2 -41.34 96.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.269 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.86 -39.76 94.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.217 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.528 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.49 -45.33 79.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.41 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -62.43 -38.52 90.02 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.419 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.59 -43.07 99.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.305 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.48 -43.5 94.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.449 . . . . 0.0 110.05 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.526 ' OE1' ' CD1' ' A' ' 59' ' ' ILE . 1.1 tm0? -61.06 -42.36 98.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.297 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.9 m -56.21 -44.36 79.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.021 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -61.39 -37.36 83.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.497 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.494 HD11 HG11 ' A' ' 7' ' ' VAL . 96.5 mt -64.75 -28.32 69.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.689 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.526 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 96.0 mt -89.93 -33.03 5.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.85 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' O ' ' A' ' 61' ' ' GLY . 77.5 mm-40 -72.93 -31.63 64.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.597 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 60' ' ' GLU . . . 33.96 96.84 0.01 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -58.89 -44.79 91.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.559 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.27 144.63 51.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.63 -79.47 0.66 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -66.27 133.33 50.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 110.709 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.29 -21.16 44.15 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -103.01 105.02 15.25 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.692 0.282 . . . . 0.0 110.48 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -93.83 145.22 24.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.628 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.61 -80.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.842 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.0 t -97.58 115.91 38.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.695 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 p -128.31 161.76 28.65 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.52 -43.77 80.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.676 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.593 HG13 HG21 ' A' ' 8' ' ' VAL . 53.2 t -63.06 -44.12 99.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.903 0.382 . . . . 0.0 110.579 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.98 -41.66 98.28 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.975 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.7 t -59.7 -46.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.191 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -58.2 -46.62 85.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.791 0.329 . . . . 0.0 110.248 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.07 98.27 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.638 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.501 HE21 HD11 ' A' ' 59' ' ' ILE . 85.0 mt-30 -63.22 -40.04 96.34 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.196 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 83' ' ' THR . 46.4 tp -57.69 -46.57 84.14 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.444 -179.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -67.82 -47.75 68.17 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.727 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.57 -46.0 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.805 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -63.0 -44.09 96.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.155 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.6 p -63.6 -48.22 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.049 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.9 t -61.73 -48.55 80.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.443 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 53.2 ttp -57.93 -48.24 80.5 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.512 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' B' ' 87' ' ' ALA . 8.8 tp -61.95 -45.25 94.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.876 0.369 . . . . 0.0 110.087 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.37 -47.54 85.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.811 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.411 ' NH2' ' HE ' ' A' ' 45' ' ' ARG . 3.3 tmt_? -58.85 -45.02 91.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.112 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.73 -44.26 96.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.109 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 70.0 mt -64.75 -43.99 91.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.168 0.508 . . . . 0.0 109.895 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.09 -42.01 91.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.306 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.424 HG23 ' SD ' ' A' ' 41' ' ' MET . 86.9 m -57.56 -45.77 84.73 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.639 -0.425 . . . . 0.0 109.869 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.438 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.2 mt-10 -62.81 -41.85 99.46 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.545 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.436 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 16.6 mt -60.32 -42.02 94.75 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.2 mt -61.21 -42.84 94.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.516 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.583 ' OE2' ' NZ ' ' B' ' 30' ' ' LYS . 84.5 tt0 -60.65 -38.83 86.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.735 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 97' ' ' LEU . 39.0 mt -61.9 -41.09 97.49 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.888 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.436 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.6 m80 -59.67 -40.32 87.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.68 -41.44 81.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.201 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -62.71 -33.6 75.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.275 179.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.6 mt -82.15 -9.86 59.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.406 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.4 tttp 72.63 15.04 5.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.424 ' OXT' ' O ' ' A' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.218 -0.599 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.568 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' B' ' 3' ' ' GLU . 22.5 pt-20 -61.58 -36.66 81.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.0 mm-40 -59.37 -78.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.395 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.692 ' O ' HG23 ' B' ' 8' ' ' VAL . 96.5 mt -39.02 -36.63 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.486 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.57 -50.0 71.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.982 0.42 . . . . 0.0 110.402 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' B' ' 3' ' ' GLU . 48.9 tp10 -66.33 -36.87 84.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.226 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.476 HG11 HD11 ' B' ' 58' ' ' LEU . 71.0 t -63.55 -42.22 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.362 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.692 HG23 ' O ' ' B' ' 4' ' ' LEU . 75.5 t -60.88 -45.03 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.914 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.7 mtp -59.34 -41.8 90.02 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.49 -42.16 99.05 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 11' ' ' LEU . 85.9 mt -63.58 -43.05 98.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.798 0.333 . . . . 0.0 110.344 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.44 -44.51 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.722 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.54 -44.54 98.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.912 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.536 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 48.3 t-20 -61.41 -45.55 93.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.881 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.5 p -59.93 -43.9 94.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.135 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.22 -41.99 98.1 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.5 -43.34 97.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.479 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.34 -49.17 78.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.922 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.59 -45.51 93.69 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.6 m -55.15 -43.89 74.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.97 -41.73 98.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.793 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.76 -47.76 81.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -59.3 -41.56 89.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.68 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.84 91.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.639 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.8 91.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.696 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.72 -45.83 92.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.328 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.2 -43.61 70.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -58.75 -41.34 86.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.903 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.44 ' O ' ' OXT' ' B' ' 103' ' ' ALA . . . -59.82 -43.88 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.698 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.583 ' NZ ' ' OE2' ' A' ' 96' ' ' GLU . 67.9 mttm -60.7 -31.0 70.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.05 179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -82.44 -5.2 58.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.419 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.48 15.56 77.88 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -96.37 80.74 3.21 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.774 0.321 . . . . 0.0 110.34 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -64.55 -33.63 76.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.587 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.46 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.012 0.434 . . . . 0.0 110.737 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.03 79.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.442 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.83 82.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.577 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.52 -42.51 98.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.574 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.39 -43.41 98.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.683 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.68 -41.54 92.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.516 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.46 ' O ' ' OG ' ' B' ' 44' ' ' SER . 72.6 mtm -63.95 -42.16 97.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.558 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.16 -45.36 93.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.458 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.79 -40.88 97.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.333 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.3 p -61.44 -46.09 91.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.49 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.43 ' HE ' ' NH2' ' B' ' 88' ' ' ARG . 42.2 ttm180 -59.83 -42.74 94.21 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.307 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 64.8 ttp -60.03 -44.03 94.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.277 0.561 . . . . 0.0 110.675 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.98 99.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.182 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' B' ' 18' ' ' ALA . 94.1 mt -64.97 -40.25 94.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.757 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.3 -41.45 96.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.38 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.77 -39.57 93.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.194 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.536 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.6 -45.31 79.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.415 179.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -62.54 -38.58 90.57 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.293 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' B' ' 53' ' ' LEU . 39.6 mt -61.41 -43.32 99.07 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.317 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -65.0 -44.03 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.141 0.496 . . . . 0.0 110.038 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.535 ' OE1' ' CD1' ' B' ' 59' ' ' ILE . 1.1 tm0? -60.75 -42.34 97.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.204 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.2 m -56.45 -44.11 80.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.947 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.4 -37.35 83.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.915 0.388 . . . . 0.0 110.527 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.476 HD11 HG11 ' B' ' 7' ' ' VAL . 96.3 mt -64.84 -28.27 69.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.692 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.535 ' CD1' ' OE1' ' B' ' 55' ' ' GLN . 96.2 mt -89.97 -32.92 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.73 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.504 ' O ' ' O ' ' B' ' 61' ' ' GLY . 77.3 mm-40 -73.38 -31.48 63.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.489 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' B' ' 60' ' ' GLU . . . 33.84 97.22 0.01 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -59.4 -44.43 92.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.573 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.52 144.04 51.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.471 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.87 -79.93 0.6 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -66.14 133.49 50.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.321 . . . . 0.0 110.658 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.5 -21.39 42.86 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -102.75 105.91 16.43 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.637 0.256 . . . . 0.0 110.496 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -94.54 146.04 24.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.58 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.47 -80.66 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.82 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.7 t -98.42 116.01 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.755 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 13.3 p -127.94 164.33 22.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.5 -178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.72 -43.05 94.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.561 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.577 HG13 HG21 ' B' ' 8' ' ' VAL . 54.9 t -63.01 -43.39 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.561 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.21 -41.16 98.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.037 0.446 . . . . 0.0 110.945 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 42.6 t -60.06 -46.77 93.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.298 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.497 ' OE2' ' OE1' ' A' ' 78' ' ' GLN . 44.8 tp10 -58.29 -46.17 86.6 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.794 -0.363 . . . . 0.0 110.299 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.19 97.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.895 0.378 . . . . 0.0 110.433 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.515 ' OE1' ' OE2' ' C' ' 76' ' ' GLU . 84.5 mt-30 -63.11 -39.6 95.16 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.187 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.512 ' O ' HG23 ' B' ' 83' ' ' THR . 43.6 tp -58.13 -46.73 85.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.381 -179.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -67.65 -47.92 68.19 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.796 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.23 -46.44 90.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.39 -44.34 96.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.256 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.512 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.6 p -63.62 -47.79 79.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.127 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 11.3 t -61.76 -48.56 80.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 53.8 ttp -58.17 -48.54 79.96 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.458 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' C' ' 87' ' ' ALA . 8.8 tp -61.63 -45.34 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.096 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' ' 86' ' ' LEU . . . -59.07 -47.93 83.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.905 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.43 ' NH2' ' HE ' ' B' ' 45' ' ' ARG . 3.2 tmt_? -58.36 -45.32 88.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.245 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.69 -44.13 97.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.117 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 71.6 mt -64.85 -43.77 91.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.062 0.458 . . . . 0.0 109.994 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.1 -42.29 92.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.197 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.42 HG23 ' SD ' ' B' ' 41' ' ' MET . 90.1 m -57.3 -45.6 83.98 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.018 0.437 . . . . 0.0 109.835 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.441 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.3 mt-10 -63.16 -41.73 99.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.495 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.472 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 16.4 mt -60.33 -42.08 94.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.08 -42.91 95.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.52 178.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.543 ' OE2' ' NZ ' ' C' ' 30' ' ' LYS . 84.5 tt0 -60.62 -38.87 86.19 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 40.9 mt -61.96 -41.08 97.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.861 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.4 m80 -59.65 -39.8 85.58 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.15 -41.66 84.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.097 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -62.87 -33.4 75.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.224 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.403 HD21 HD21 ' C' ' 101' ' ' LEU . 84.2 mt -81.89 -10.46 59.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.409 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 38.5 tttp 72.74 15.54 4.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.536 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . 0.44 ' OXT' ' O ' ' B' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.898 -1.048 . . . . 0.0 110.59 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -62.02 -36.11 80.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.612 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.5 mm-40 -59.74 -78.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.314 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.703 ' O ' HG23 ' C' ' 8' ' ' VAL . 96.5 mt -39.21 -36.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.439 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -63.48 -49.63 72.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.407 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' C' ' 3' ' ' GLU . 48.3 tp10 -66.88 -36.44 82.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.348 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.471 HG11 HD11 ' C' ' 58' ' ' LEU . 71.7 t -63.65 -42.26 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.364 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.703 HG23 ' O ' ' C' ' 4' ' ' LEU . 75.1 t -60.87 -45.24 98.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.986 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.2 mtp -59.13 -41.89 89.33 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.37 -42.18 99.21 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.41 -43.08 98.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.41 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 93.5 mt -63.47 -44.53 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.674 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.4 mt -63.5 -44.38 98.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.083 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.532 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 47.6 t-20 -61.37 -45.8 92.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.826 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 79.6 p -59.79 -43.92 94.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.156 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.09 -42.08 98.23 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.141 -1.184 . . . . 0.0 110.141 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.63 -43.45 96.76 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.479 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -58.18 -49.07 78.31 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.9 -45.48 94.44 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 65.5 m -55.09 -44.18 74.62 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.58 -41.62 97.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.741 178.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.62 82.72 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -59.37 -41.72 89.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.428 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.29 90.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.47 93.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.59 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.89 -45.79 92.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.389 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -54.26 -43.65 71.16 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -58.79 -41.07 85.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.882 179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.424 ' O ' ' OXT' ' C' ' 103' ' ' ALA . . . -59.98 -44.0 94.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.808 179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OE2' ' B' ' 96' ' ' GLU . 68.0 mttm -60.7 -30.84 70.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.998 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -82.32 -5.2 58.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.487 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.62 15.48 77.86 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -96.53 80.78 3.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.781 0.324 . . . . 0.0 110.316 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -64.48 -33.79 76.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.537 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.34 -48.18 80.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.67 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.16 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.403 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -47.83 82.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.512 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.45 -42.76 99.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.629 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.0 99.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.707 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 62.2 mtt -65.94 -41.93 90.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.559 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.464 ' O ' ' OG ' ' C' ' 44' ' ' SER . 73.1 mtm -63.73 -41.94 97.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.603 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.25 -45.68 92.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.48 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.56 -40.79 97.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.332 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' C' ' 41' ' ' MET . 77.4 p -61.53 -45.85 92.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.494 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.424 ' HE ' ' NH2' ' C' ' 88' ' ' ARG . 42.2 ttm180 -59.99 -42.64 94.65 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.354 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 64.4 ttp -60.31 -43.9 95.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.316 0.579 . . . . 0.0 110.528 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.15 99.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.356 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' C' ' 18' ' ' ALA . 94.4 mt -64.63 -40.86 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.705 179.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -60.8 -41.54 95.84 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.364 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.6 -39.84 94.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.989 0.423 . . . . 0.0 110.065 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.532 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.44 -45.65 79.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.434 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -62.0 -38.96 90.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.298 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.3 mt -61.4 -42.86 99.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.291 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.7 t -65.48 -43.8 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.963 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.526 ' OE1' ' CD1' ' C' ' 59' ' ' ILE . 1.1 tm0? -60.9 -42.58 98.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.313 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -55.93 -44.28 78.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.195 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -61.24 -37.39 82.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.485 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.471 HD11 HG11 ' C' ' 7' ' ' VAL . 96.2 mt -64.76 -28.16 69.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.526 ' CD1' ' OE1' ' C' ' 55' ' ' GLN . 96.3 mt -89.95 -33.0 5.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.505 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 77.3 mm-40 -73.28 -31.62 64.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.373 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' C' ' 60' ' ' GLU . . . 33.98 96.95 0.01 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.0 -45.01 91.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.821 0.343 . . . . 0.0 110.576 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.07 144.37 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.469 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -76.42 -79.58 0.65 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -66.2 133.61 51.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.339 . . . . 0.0 110.609 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.25 -21.33 43.54 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -102.71 105.42 15.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.633 0.254 . . . . 0.0 110.59 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 78.0 mtm -94.38 146.15 24.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.564 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.2 -81.02 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.772 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 t -98.29 115.94 39.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.69 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 14.5 p -127.23 166.26 18.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.485 -178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 45.9 tp -59.41 -44.4 92.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.698 -177.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.547 HG13 HG21 ' C' ' 8' ' ' VAL . 54.6 t -63.03 -44.21 99.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 130.087 3.355 . . . . 0.0 110.576 -177.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.9 -40.89 97.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.044 0.449 . . . . 0.0 110.992 177.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 43.3 t -60.4 -47.25 93.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.21 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.515 ' OE2' ' OE1' ' B' ' 78' ' ' GLN . 45.2 tp10 -58.55 -46.03 87.71 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.23 97.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.427 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.487 HE21 HD11 ' C' ' 59' ' ' ILE . 84.2 mt-30 -63.11 -40.26 97.1 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.302 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.522 ' O ' HG23 ' C' ' 83' ' ' THR . 43.2 tp -57.24 -47.13 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.457 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -67.35 -48.15 68.36 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.737 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.16 -46.12 91.85 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.858 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.7 -44.13 97.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.306 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.522 HG23 ' O ' ' C' ' 79' ' ' LEU . 22.5 p -63.81 -47.85 79.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.21 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 11.2 t -61.91 -48.23 81.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.589 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 53.4 ttp -58.42 -48.25 81.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.501 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 8.7 tp -61.88 -45.17 94.91 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.146 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . 0.573 ' HB2' HD11 ' B' ' 86' ' ' LEU . . . -59.26 -47.66 84.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.894 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.424 ' NH2' ' HE ' ' C' ' 45' ' ' ARG . 3.3 tmt_? -58.48 -45.55 88.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.232 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.32 -44.37 96.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.133 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.59 -43.99 92.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.135 0.493 . . . . 0.0 110.03 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . . . . . . . . . 79.2 mt -61.2 -42.01 91.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.358 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.42 HG23 ' SD ' ' C' ' 41' ' ' MET . 91.2 m -57.46 -45.75 84.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.123 0.487 . . . . 0.0 109.947 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.06 -41.81 99.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.469 179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.481 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 16.6 mt -59.89 -42.43 93.79 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.8 mt -60.83 -42.94 94.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.609 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.37 -38.97 85.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.755 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 40.3 mt -61.94 -41.18 97.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.91 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.481 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 72.0 m80 -59.5 -39.77 84.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.743 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.32 -41.3 84.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.114 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -62.97 -33.57 75.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.195 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . 0.403 HD21 HD21 ' B' ' 101' ' ' LEU . 85.9 mt -81.78 -11.04 59.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.354 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 38.7 tttp 73.57 15.06 4.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.494 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . 0.424 ' OXT' ' O ' ' C' ' 29' ' ' ALA . . . . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.564 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.533 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 121.849 0.833 . . . . 0.0 108.953 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.77 142.99 36.72 Favored 'General case' 0 C--N 1.287 -2.145 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.489 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.99 156.31 38.59 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.994 -1.066 . . . . 0.0 109.561 179.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.12 149.16 28.49 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.2 152.33 18.94 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.047 -1.033 . . . . 0.0 108.361 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.33 19.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.77 136.69 36.95 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.194 0.997 . . . . 0.0 110.083 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.0 mt -85.04 114.34 25.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.86 -4.34 19.34 Favored 'General case' 0 C--N 1.265 -3.088 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.812 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.78 85.76 Favored Pre-proline 0 N--CA 1.5 2.033 0 O-C-N 119.657 -1.902 . . . . 0.0 110.618 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -45.45 -47.76 12.65 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 124.777 3.651 . . . . 0.0 114.116 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.628 HD21 ' CD2' ' D' ' 315' ' ' HIS . 42.3 p30 -102.11 27.66 6.45 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 116.026 -2.269 . . . . 0.0 108.758 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.43 -142.24 46.99 Favored Glycine 0 N--CA 1.498 2.777 0 C-N-CA 117.646 -2.216 . . . . 0.0 109.584 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 12.2 tp -93.35 81.18 4.41 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.934 -1.333 . . . . 0.0 109.555 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.628 ' CD2' HD21 ' D' ' 312' ' ' ASN . 2.9 p80 -79.21 177.16 9.03 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 117.885 -1.526 . . . . 0.0 112.161 -178.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.476 HG23 ' H ' ' D' ' 316' ' ' THR . 17.9 p -35.72 -65.73 0.23 Allowed 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -176.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.44 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 13.9 ttt-85 -56.26 -56.35 32.37 Favored Pre-proline 0 N--CA 1.493 1.705 0 C-N-CA 120.144 -0.622 . . . . 0.0 112.51 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.0 Cg_endo -64.06 -32.13 64.76 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.365 1.376 . . . . 0.0 111.541 -177.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.437 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.02 -38.84 86.66 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.251 -0.906 . . . . 0.0 109.492 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.466 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.92 -39.71 72.54 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.97 -39.35 93.93 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.959 -1.496 . . . . 0.0 109.508 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.77 -45.34 93.14 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 122.564 1.173 . . . . 0.0 108.633 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.437 HG23 ' O ' ' D' ' 319' ' ' ALA . 56.0 t -62.66 -42.16 94.98 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.264 0 CA-C-N 114.942 -1.027 . . . . 0.0 110.677 -179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.501 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.5 mttt -63.93 -40.26 96.04 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.317 -0.864 . . . . 0.0 109.781 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.536 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.82 -39.63 79.94 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.46 -0.775 . . . . 0.0 109.617 177.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.08 -43.93 91.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.594 -1.316 . . . . 0.0 109.47 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.41 -16.19 44.21 Favored 'General case' 0 N--CA 1.511 2.6 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.55 86.07 Favored Glycine 0 N--CA 1.48 1.583 0 O-C-N 119.88 -1.762 . . . . 0.0 109.348 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.412 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.51 143.31 32.9 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.287 -1.713 . . . . 0.0 110.002 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 47.8 p -75.58 -30.04 59.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.244 -0.91 . . . . 0.0 112.34 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.8 158.58 10.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 119.842 -1.786 . . . . 0.0 112.75 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.582 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.96 130.32 35.44 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 102.862 -3.014 . . . . 0.0 102.862 171.256 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.71 136.65 60.18 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.487 0 CA-C-O 122.185 0.993 . . . . 0.0 109.301 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.1 m -125.06 143.27 51.0 Favored 'General case' 0 C--N 1.286 -2.184 0 CA-C-O 123.123 1.44 . . . . 0.0 109.933 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.1 t -108.14 129.92 61.57 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.702 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 173.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.44 119.6 26.49 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.851 -1.156 . . . . 0.0 108.917 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.9 t -122.62 122.58 39.18 Favored 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.901 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.73 39.01 24.47 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.866 -1.146 . . . . 0.0 112.781 -179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.1 83.51 Favored Glycine 0 N--CA 1.501 3.029 0 O-C-N 119.912 -1.743 . . . . 0.0 112.549 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.94 136.26 54.59 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.8 m -124.78 158.59 32.96 Favored 'General case' 0 C--N 1.276 -2.588 0 CA-C-O 123.796 1.76 . . . . 0.0 112.399 -176.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.46 31.51 Favored 'General case' 0 C--N 1.278 -2.51 0 CA-C-N 112.436 -2.166 . . . . 0.0 108.594 177.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.62 135.86 48.74 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 105.634 -1.988 . . . . 0.0 105.634 173.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.446 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.94 -6.78 47.54 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.701 -1.249 . . . . 0.0 110.753 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.46 12.98 31.44 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.665 -1.272 . . . . 0.0 109.367 -177.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 97.3 p -133.09 104.23 6.41 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 122.213 1.006 . . . . 0.0 110.127 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.536 HD22 ' CE ' ' A' ' 9' ' ' MET . 66.0 tp -57.27 -37.9 73.08 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.964 178.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -58.9 -51.29 70.65 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.565 -1.334 . . . . 0.0 113.086 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.08 -32.53 70.65 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 119.589 -1.945 . . . . 0.0 109.197 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.67 -33.8 75.79 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 118.975 -1.09 . . . . 0.0 109.954 -177.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.596 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 44.1 tp60 -67.69 -10.47 52.7 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.588 -0.695 . . . . 0.0 109.945 -177.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 33.8 p -89.7 -7.78 53.82 Favored 'General case' 0 N--CA 1.503 2.194 0 C-N-CA 118.089 -1.445 . . . . 0.0 110.917 -178.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . 0.408 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 95.8 mt -93.31 159.36 15.3 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.177 -0.952 . . . . 0.0 110.135 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.69 104.82 2.96 Favored Glycine 0 N--CA 1.484 1.894 0 N-CA-C 106.992 -2.443 . . . . 0.0 106.992 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.0 mt -119.56 47.3 1.74 Allowed 'General case' 0 C--N 1.308 -1.22 0 O-C-N 120.719 -1.46 . . . . 0.0 107.366 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.848 HG22 HG21 ' C' ' 56' ' ' THR . 4.0 p -81.41 172.52 13.44 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.77 -1.172 . . . . 0.0 109.184 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.63 140.92 57.24 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 119.287 -0.965 . . . . 0.0 109.897 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.28 78.99 Favored Glycine 0 N--CA 1.5 2.941 0 C-N-CA 119.978 -1.106 . . . . 0.0 111.378 177.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.6 m -84.37 135.85 34.12 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 120.87 -1.371 . . . . 0.0 110.66 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.48 123.72 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 176.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.495 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.08 160.1 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.326 0 C-N-CA 117.409 -1.716 . . . . 0.0 110.69 178.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.426 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 88.5 m -108.92 128.29 54.8 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.549 -1.344 . . . . 0.0 107.681 175.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.86 121.35 60.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 176.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.55 147.31 50.69 Favored 'General case' 0 C--N 1.285 -2.218 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 -179.596 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.39 47.15 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 118.48 -1.288 . . . . 0.0 109.726 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.17 110.78 6.43 Favored 'General case' 0 C--N 1.287 -2.122 0 C-N-CA 118.535 -1.266 . . . . 0.0 108.059 178.201 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.16 -170.31 40.09 Favored Glycine 0 C--N 1.296 -1.687 0 C-N-CA 118.011 -2.042 . . . . 0.0 110.365 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.36 -40.68 82.87 Favored 'General case' 0 C--N 1.276 -2.628 0 CA-C-N 114.356 -0.922 . . . . 0.0 112.169 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.05 36.86 3.51 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 115.874 -2.33 . . . . 0.0 108.538 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.35 -33.6 65.82 Favored 'General case' 0 N--CA 1.521 3.078 0 N-CA-C 116.863 2.171 . . . . 0.0 116.863 -174.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.441 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.94 -45.57 27.32 Favored 'General case' 0 N--CA 1.509 2.498 0 O-C-N 119.503 -1.998 . . . . 0.0 110.987 -176.541 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.758 ' NZ ' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.6 -40.7 97.59 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.12 -49.5 77.65 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 117.463 -1.695 . . . . 0.0 110.066 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.5 t -66.88 -42.25 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 CA-C-O 122.148 0.975 . . . . 0.0 109.198 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.87 -47.89 76.55 Favored 'General case' 0 C--N 1.287 -2.151 0 CA-C-O 122.089 0.947 . . . . 0.0 108.774 -178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.758 ' CE1' ' NZ ' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.7 -38.44 76.96 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.69 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' D' ' 377' ' ' LEU . 81.0 mt -75.55 -28.61 59.1 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.397 -1.44 . . . . 0.0 110.911 -174.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.43 70.57 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.426 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.96 -49.23 62.98 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.536 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.3 tp -57.2 -45.3 83.92 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.518 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.495 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.31 -37.43 85.52 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.832 -1.168 . . . . 0.0 111.554 -177.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.81 -31.92 61.85 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.079 -1.013 . . . . 0.0 110.275 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.79 -32.33 46.39 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.534 -0.729 . . . . 0.0 111.367 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.15 125.53 12.51 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 124.321 2.01 . . . . 0.0 112.939 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.812 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.1 mt-10 . . . . . 0 C--N 1.277 -2.573 0 CA-C-N 111.133 -2.758 . . . . 0.0 110.148 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -65.55 145.94 55.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 6' ' ' GLU . 81.2 tt0 -62.62 -36.28 82.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.477 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 3' ' ' GLU . 96.8 mt -37.23 -30.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.403 -179.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 6' ' ' GLU . 15.0 pt-20 -65.08 -43.8 90.99 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.886 0.374 . . . . 0.0 110.264 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.5 mt-10 -66.91 -34.86 78.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.239 179.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.41 HG11 HD11 ' A' ' 58' ' ' LEU . 75.8 t -63.24 -43.11 98.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.638 HG21 HG13 ' A' ' 73' ' ' VAL . 80.5 t -60.98 -43.99 97.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.974 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.536 ' CE ' HD22 ' D' ' 347' ' ' LEU . 93.3 mtp -58.86 -42.27 89.02 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.07 -41.36 97.2 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.282 -1.127 . . . . 0.0 110.282 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.2 mt -63.35 -43.1 98.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.373 . . . . 0.0 110.162 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.07 -44.03 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.713 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.501 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 90.1 mt -63.58 -44.28 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.941 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -61.89 -46.36 89.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.803 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.2 m -60.12 -44.63 94.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.003 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.9 -42.66 99.63 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -63.15 -43.36 98.52 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.453 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -57.33 -49.3 76.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.859 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -60.64 -46.15 91.4 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -54.78 -44.41 73.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.31 -42.88 99.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.688 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.661 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -58.57 -50.16 74.8 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.53 -41.6 90.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.631 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.78 92.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.764 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.86 -42.69 90.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.661 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.28 -45.12 95.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.446 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.48 -42.17 74.01 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -60.84 -41.61 96.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.83 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.47 93.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.667 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -61.27 -29.58 69.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.164 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.65 -4.1 53.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.26 14.26 74.77 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -97.25 80.59 2.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 120.76 0.314 . . . . 0.0 110.28 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -64.94 -34.67 78.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.693 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.27 80.33 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.046 0.451 . . . . 0.0 110.765 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.51 -35.32 80.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.38 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.68 -47.03 85.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.55 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.94 -42.05 99.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.86 0.362 . . . . 0.0 110.6 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.69 99.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.804 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.9 mmm -66.25 -40.33 90.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.45 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.554 ' HE1' HG23 ' A' ' 92' ' ' THR . 91.3 mtp -63.15 -41.21 99.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.597 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -62.52 -43.82 97.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.049 0.452 . . . . 0.0 110.597 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -64.03 -40.85 97.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.266 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.2 p -62.0 -46.43 89.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.56 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.27 -42.7 95.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.305 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 93.6 mtp -61.36 -42.22 98.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.229 0.538 . . . . 0.0 110.533 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.93 -42.42 90.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.202 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.453 HD21 ' CB ' ' A' ' 18' ' ' ALA . 94.3 mt -65.5 -40.12 92.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 49' ' ' ASN . 50.6 t-20 -60.99 -42.49 98.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.34 -179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.89 -40.3 94.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.193 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.14 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.431 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -60.22 -40.0 88.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 53' ' ' LEU . 40.1 mt -60.48 -44.28 96.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.371 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.5 t -66.48 -42.54 90.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.032 0.444 . . . . 0.0 109.976 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.473 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 67.5 tp60 -60.82 -44.55 96.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.264 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 m -56.11 -43.01 77.73 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.054 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -61.13 -39.93 91.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.485 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.41 HD11 HG11 ' A' ' 7' ' ' VAL . 97.7 mt -68.72 -39.09 80.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.713 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.476 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 97.5 mt -67.95 -39.66 82.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.889 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -85.33 -11.44 54.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.45 -18.76 37.52 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.494 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 53.3 p-10 -67.7 146.19 54.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.835 0.35 . . . . 0.0 110.543 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.09 139.49 58.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.55 -17.34 3.94 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.544 ' C ' ' H ' ' A' ' 67' ' ' LYS . 98.0 mt-10 -68.22 121.55 16.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 110.688 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.24 -37.41 0.25 Allowed Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.544 ' H ' ' C ' ' A' ' 65' ' ' GLU . 53.8 mtmt -97.61 144.43 27.28 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.702 0.287 . . . . 0.0 110.439 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 7.3 tpp -68.96 152.76 44.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -74.16 -1.31 19.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.5 t -99.4 121.01 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.657 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 75' ' ' VAL . 95.3 p -127.74 159.25 35.36 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.34 -43.04 88.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.644 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.638 HG13 HG21 ' A' ' 8' ' ' VAL . 47.7 t -63.41 -48.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.841 0.353 . . . . 0.0 110.531 -179.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 74' ' ' LEU . 96.2 mt -63.3 -40.73 98.15 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 121.032 0.444 . . . . 0.0 110.896 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 71' ' ' SER . 55.0 t -59.98 -46.95 93.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.169 -179.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -58.44 -46.34 86.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.837 0.351 . . . . 0.0 110.345 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.473 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.79 -41.95 95.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.606 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.17 -41.53 99.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.16 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 83' ' ' THR . 46.7 tp -57.23 -46.65 82.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.384 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -66.92 -46.94 73.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.693 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.35 -46.12 91.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.841 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.3 mmm -61.43 -44.17 97.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.169 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.3 p -63.25 -45.9 89.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.114 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -63.1 -49.8 73.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.462 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.7 tpp -57.14 -48.52 78.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.503 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.1 -44.13 97.82 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.015 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.75 82.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.861 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -58.58 -45.4 89.14 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.188 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -60.83 -44.69 96.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.069 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.98 -42.14 97.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.19 0.519 . . . . 0.0 109.908 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.661 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 78.4 mt -60.89 -42.33 92.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.554 HG23 ' HE1' ' A' ' 41' ' ' MET . 72.7 m -57.32 -46.04 83.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.058 0.456 . . . . 0.0 109.882 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.497 ' OE1' HD13 ' B' ' 94' ' ' LEU . 99.2 mt-10 -63.79 -43.21 97.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 0.0 109.629 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.57 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 75.5 mt -59.85 -43.82 94.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 90.9 mt -61.21 -42.96 95.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.523 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.537 ' CD ' ' NZ ' ' B' ' 30' ' ' LYS . 81.5 tt0 -60.86 -39.77 90.41 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 97' ' ' LEU . 36.5 mt -62.22 -41.66 98.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.893 179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.57 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 69.6 m80 -59.79 -40.1 87.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 179.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 102' ' ' LYS . 81.6 tt0 -61.74 -39.57 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.242 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.25 -39.36 93.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.217 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.5 mt -64.13 -41.98 97.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.363 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 99' ' ' GLU . 99.3 mttt -91.71 142.54 27.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.55 179.903 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.64 145.81 55.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.55 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' B' ' 6' ' ' GLU . 81.8 tt0 -62.38 -36.58 82.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.448 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' B' ' 3' ' ' GLU . 97.2 mt -37.05 -30.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.493 -179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' B' ' 6' ' ' GLU . 15.0 pt-20 -64.86 -44.08 90.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.967 0.413 . . . . 0.0 110.381 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.3 mt-10 -66.45 -35.02 79.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.267 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -63.22 -43.35 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.352 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.621 HG21 HG13 ' B' ' 73' ' ' VAL . 82.1 t -60.76 -43.69 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.845 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.8 mtp -59.2 -42.18 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.23 -41.41 96.83 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 11' ' ' LEU . 37.6 mt -63.03 -43.27 99.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.336 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.14 -44.29 99.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.775 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.3 -44.13 98.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.976 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.421 HD22 ' HA ' ' B' ' 14' ' ' ASN . 7.7 m120 -61.85 -46.42 89.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.859 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 70.3 m -59.98 -44.68 94.33 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.117 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.45 99.68 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.36 -43.16 98.46 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.448 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -57.47 -49.63 75.66 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.868 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.16 -46.42 89.74 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.3 m -54.79 -44.25 73.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.44 -42.66 98.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.747 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.659 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -58.76 -50.21 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.44 -41.52 89.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.695 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.17 93.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.748 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.4 -42.79 87.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.707 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.41 -45.26 95.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.32 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.25 -42.07 72.98 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -60.98 -41.39 96.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.843 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.87 -42.74 94.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.692 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.537 ' NZ ' ' CD ' ' A' ' 96' ' ' GLU . 67.7 mttm -61.01 -29.62 69.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.037 179.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -80.86 -3.98 53.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.386 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.15 14.38 74.78 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.31 80.52 2.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 120.787 0.327 . . . . 0.0 110.422 179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -64.97 -34.54 78.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.599 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.54 -48.3 80.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.084 0.469 . . . . 0.0 110.777 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.36 -35.49 81.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.388 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.54 -47.26 84.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.55 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.61 -42.29 99.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.85 0.357 . . . . 0.0 110.536 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.75 99.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 93.0 mmm -66.15 -40.47 90.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.493 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.573 ' HE1' HG23 ' B' ' 92' ' ' THR . 91.6 mtp -62.95 -41.47 99.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.602 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.17 -44.23 97.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.48 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.323 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.0 p -61.79 -46.46 89.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.503 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.4 ' HB2' ' NH2' ' B' ' 88' ' ' ARG . 61.9 ttp180 -60.31 -42.63 95.95 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.262 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 93.8 mtp -61.41 -42.54 98.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.253 0.549 . . . . 0.0 110.654 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.45 92.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.107 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.448 HD21 ' CB ' ' B' ' 18' ' ' ALA . 93.0 mt -65.57 -40.31 92.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.721 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 50.3 t-20 -60.76 -42.82 98.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.31 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.71 -40.12 94.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.221 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.82 75.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.466 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.74 -39.92 90.5 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.287 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' B' ' 53' ' ' LEU . 40.7 mt -60.42 -44.29 95.9 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.333 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -66.36 -42.92 91.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.034 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.477 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 67.5 tp60 -60.55 -44.34 96.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.9 m -56.41 -43.27 79.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.972 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -60.69 -40.39 92.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.915 0.388 . . . . 0.0 110.514 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' B' ' 58' ' ' LEU . 97.2 mt -68.26 -39.33 82.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.652 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.494 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 97.5 mt -67.85 -39.8 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.735 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -85.23 -11.41 54.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.556 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.49 -19.09 36.24 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.494 ' OD1' ' O ' ' B' ' 59' ' ' ILE . 52.7 p-10 -67.45 146.24 54.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.776 0.322 . . . . 0.0 110.578 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.45 139.64 58.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.386 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -121.34 -17.44 4.0 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.543 ' C ' ' H ' ' B' ' 67' ' ' LYS . 97.5 mt-10 -68.06 121.45 16.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.741 0.305 . . . . 0.0 110.639 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.43 -37.53 0.27 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.543 ' H ' ' C ' ' B' ' 65' ' ' GLU . 54.0 mtmt -97.8 144.46 27.38 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.613 0.244 . . . . 0.0 110.464 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 7.0 tpp -68.92 153.28 44.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.63 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -74.55 -0.77 18.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.806 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.8 t -100.78 120.55 50.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.762 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.54 ' O ' HG23 ' B' ' 75' ' ' VAL . 90.4 p -127.14 161.22 28.99 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.52 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 15.9 mt -60.44 -42.96 97.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.578 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.621 HG13 HG21 ' B' ' 8' ' ' VAL . 46.2 t -62.61 -47.89 90.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.636 -177.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 98.6 mt -63.85 -40.15 95.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 71' ' ' SER . 55.6 t -60.23 -47.15 93.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.326 -179.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.54 -46.29 87.13 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.301 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.477 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -64.57 -42.0 95.91 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.879 0.371 . . . . 0.0 110.488 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.15 -41.53 99.28 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.219 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.454 ' O ' HG23 ' B' ' 83' ' ' THR . 48.4 tp -57.27 -46.13 83.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.383 -179.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -67.27 -47.06 71.8 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.67 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.9 mt -61.51 -45.71 93.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.867 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -61.44 -44.1 97.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.252 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.454 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.9 p -63.62 -45.92 88.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.134 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -62.88 -49.83 73.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.529 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 8.2 tpp -57.2 -48.54 78.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.463 -179.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.22 -44.09 97.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 0.0 110.132 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.51 83.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.916 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.4 ' NH2' ' HB2' ' B' ' 45' ' ' ARG . 68.8 ttt-85 -59.0 -45.53 90.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.253 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -60.74 -44.41 96.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.154 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.04 -42.25 97.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.155 0.502 . . . . 0.0 110.072 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.659 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 76.3 mt -60.88 -42.4 92.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.222 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.573 HG23 ' HE1' ' B' ' 41' ' ' MET . 70.4 m -57.32 -46.34 83.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.075 0.464 . . . . 0.0 109.922 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.485 ' OE1' HD13 ' C' ' 94' ' ' LEU . 99.3 mt-10 -63.26 -43.3 98.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.532 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.575 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 76.9 mt -59.82 -43.69 94.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 90.1 mt -61.56 -42.92 95.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.545 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.531 ' CD ' ' NZ ' ' C' ' 30' ' ' LYS . 82.0 tt0 -60.6 -40.02 90.25 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.9 mt -62.12 -41.73 98.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.875 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 69.6 m80 -59.58 -40.2 86.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.806 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.477 ' O ' ' O ' ' B' ' 102' ' ' LYS . 82.1 tt0 -61.57 -39.7 92.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.111 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -64.43 -39.43 93.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.109 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 42.3 mt -63.84 -41.97 97.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.369 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' B' ' 99' ' ' GLU . 99.3 mttt -91.94 142.51 27.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.616 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.377 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.481 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.57 146.17 55.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.641 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' C' ' 6' ' ' GLU . 80.5 tt0 -62.53 -36.68 83.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.372 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' C' ' 3' ' ' GLU . 97.3 mt -36.98 -30.58 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.4 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' C' ' 6' ' ' GLU . 14.9 pt-20 -64.95 -43.76 91.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.885 0.374 . . . . 0.0 110.438 179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.7 mt-10 -66.96 -34.72 78.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.27 -43.23 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.372 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.59 HG21 HG13 ' C' ' 73' ' ' VAL . 81.9 t -60.75 -44.09 96.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.967 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.6 mtp -58.89 -42.33 89.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.03 -41.54 97.17 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.91 -43.04 99.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.898 0.38 . . . . 0.0 110.345 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.42 -44.32 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.65 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.27 -44.18 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.018 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.409 HD22 ' HA ' ' C' ' 14' ' ' ASN . 7.4 m120 -61.82 -46.43 89.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.816 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 71.2 m -59.95 -44.86 94.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.14 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.78 -42.46 99.68 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.16 -43.34 98.55 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.453 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -57.26 -50.06 74.09 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -59.85 -46.64 88.62 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 68.5 m -54.62 -44.38 73.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.14 -42.58 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.734 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.674 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -59.02 -49.8 76.52 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -59.92 -41.4 91.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.53 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.6 93.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.43 90.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.523 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.55 -44.82 96.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.408 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -55.85 -42.04 75.21 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -61.01 -41.35 96.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.93 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.25 92.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.842 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . 0.531 ' NZ ' ' CD ' ' B' ' 96' ' ' GLU . 67.6 mttm -61.72 -29.55 70.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.032 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -80.47 -4.42 53.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.444 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.36 14.66 73.49 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -97.53 80.06 2.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.761 0.315 . . . . 0.0 110.309 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -64.56 -34.46 78.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.53 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.4 79.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.108 0.48 . . . . 0.0 110.725 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.33 -35.57 81.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.382 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.38 -47.41 84.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.505 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.51 -42.61 99.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.575 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.6 99.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 92.8 mmm -66.33 -40.69 90.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.606 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.583 ' HE1' HG23 ' C' ' 92' ' ' THR . 91.7 mtp -62.73 -41.64 99.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.678 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.18 -44.24 97.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.49 -41.23 98.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.349 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.2 p -61.8 -46.22 90.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.563 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.45 -42.66 96.58 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.38 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 94.1 mtp -61.36 -42.6 98.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.33 0.586 . . . . 0.0 110.497 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.66 92.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.34 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.453 HD21 ' CB ' ' C' ' 18' ' ' ALA . 94.1 mt -65.3 -40.57 93.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.721 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' C' ' 49' ' ' ASN . 49.3 t-20 -60.97 -42.32 98.11 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.283 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.76 -40.53 95.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.043 0.449 . . . . 0.0 110.065 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.02 -45.95 75.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.434 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.403 ' NE2' ' HA ' ' D' ' 312' ' ' ASN . 85.0 t60 -60.58 -39.77 89.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.284 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.78 -44.33 96.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.262 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.5 t -66.2 -42.63 91.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.97 0.415 . . . . 0.0 109.945 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.455 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 67.3 tp60 -60.8 -44.62 96.61 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.271 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.848 HG21 HG22 ' D' ' 356' ' ' THR . 15.5 m -56.18 -43.19 78.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.103 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -60.71 -40.13 91.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.905 0.384 . . . . 0.0 110.526 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.44 -39.4 81.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.483 ' O ' ' OD1' ' C' ' 62' ' ' ASP . 97.1 mt -67.74 -39.75 82.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.833 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.596 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 70.9 mm-40 -85.27 -11.51 54.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.445 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -93.48 -18.65 37.83 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.501 ' OD1' ' O ' ' C' ' 62' ' ' ASP . 53.1 p-10 -67.96 146.25 53.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.869 0.366 . . . . 0.0 110.465 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.24 139.11 58.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.508 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -120.99 -17.4 4.14 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . 0.543 ' C ' ' H ' ' C' ' 67' ' ' LYS . 97.6 mt-10 -67.89 121.62 16.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.801 0.334 . . . . 0.0 110.581 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.08 -37.19 0.25 Allowed Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.543 ' H ' ' C ' ' C' ' 65' ' ' GLU . 53.9 mtmt -97.82 144.45 27.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.675 0.274 . . . . 0.0 110.525 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 7.0 tpp -69.04 153.34 43.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.596 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -74.74 -0.66 18.87 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 19.9 t -100.26 120.31 49.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.685 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.547 ' O ' HG23 ' C' ' 75' ' ' VAL . 89.2 p -126.14 163.81 22.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.511 -178.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.63 -42.16 99.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.722 -177.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.59 HG13 HG21 ' C' ' 8' ' ' VAL . 46.4 t -63.73 -48.27 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 130.109 3.364 . . . . 0.0 110.68 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.411 HD22 ' CG1' ' C' ' 59' ' ' ILE . 98.1 mt -65.9 -39.78 90.91 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.015 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.547 HG23 ' O ' ' C' ' 71' ' ' SER . 55.3 t -60.71 -47.81 91.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.265 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -58.11 -46.49 85.48 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.385 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.455 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -64.62 -42.01 95.8 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.92 0.391 . . . . 0.0 110.413 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.06 -41.5 99.47 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.243 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.449 ' O ' HG23 ' C' ' 83' ' ' THR . 48.2 tp -57.35 -46.3 83.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.464 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -67.2 -46.55 73.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.776 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.08 -45.54 93.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.831 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.5 mmm -61.79 -43.45 98.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.305 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.449 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.5 p -64.24 -45.66 87.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.197 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -62.91 -49.7 73.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.563 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 8.7 tpp -57.38 -48.27 79.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.548 -0.297 . . . . 0.0 110.511 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.5 -43.93 97.98 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.145 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.35 -48.01 81.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.921 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -58.53 -45.47 88.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.293 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -60.51 -44.83 95.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.956 0.408 . . . . 0.0 110.178 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.85 -42.29 97.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.159 0.504 . . . . 0.0 110.033 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.674 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 78.0 mt -60.73 -42.52 92.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.346 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.583 HG23 ' HE1' ' C' ' 41' ' ' MET . 70.1 m -57.28 -46.13 83.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.014 0.435 . . . . 0.0 109.947 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.63 -43.39 96.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.463 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.577 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 76.5 mt -59.47 -43.86 93.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . 0.457 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 89.9 mt -61.33 -43.03 95.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.624 179.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -60.52 -39.74 88.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.773 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' C' ' 97' ' ' LEU . 35.7 mt -62.31 -41.66 98.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.918 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.577 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 70.6 m80 -59.78 -40.28 87.73 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.725 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.478 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.5 tt0 -61.4 -39.7 91.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.106 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.28 -39.28 93.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.223 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.22 -42.09 96.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.365 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' C' ' 99' ' ' GLU . 99.3 mttt -91.53 142.47 27.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.125 -0.94 . . . . 0.0 110.488 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.472 0.661 0 CA-C-O 121.805 0.812 . . . . 0.0 108.985 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.8 t80 -139.81 143.09 36.68 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 178.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.03 156.29 38.51 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.036 -1.04 . . . . 0.0 109.567 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.15 149.15 28.45 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.18 152.38 18.88 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.054 -1.029 . . . . 0.0 108.383 178.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.84 144.36 19.26 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.59 37.02 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.102 0.953 . . . . 0.0 110.13 177.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.7 mt -84.95 114.25 24.84 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 47.0 p -106.77 -4.34 19.46 Favored 'General case' 0 C--N 1.265 -3.069 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.805 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.81 85.81 Favored Pre-proline 0 N--CA 1.501 2.09 0 O-C-N 119.668 -1.895 . . . . 0.0 110.558 178.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.44 -47.77 12.62 Favored 'Trans proline' 0 C--N 1.312 -1.373 0 C-N-CA 124.75 3.633 . . . . 0.0 114.101 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.528 ' ND2' ' CD2' ' C' ' 52' ' ' HIS . 99.6 m-20 -102.14 27.58 6.54 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 116.024 -2.27 . . . . 0.0 108.766 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.79 -143.85 46.62 Favored Glycine 0 N--CA 1.496 2.689 0 C-N-CA 117.682 -2.199 . . . . 0.0 109.559 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' D' ' 314' ' ' LEU . 13.3 tp -88.98 75.88 7.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.923 -1.34 . . . . 0.0 109.501 -177.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.636 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.8 p80 -69.97 175.87 4.13 Favored 'General case' 0 N--CA 1.494 1.757 0 C-N-CA 117.921 -1.511 . . . . 0.0 112.19 -178.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 55.0 p -38.96 -67.04 0.23 Allowed 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.749 HH21 ' NE2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -56.36 -52.24 74.7 Favored Pre-proline 0 N--CA 1.492 1.656 0 C-N-CA 120.158 -0.617 . . . . 0.0 112.546 -177.369 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.7 Cg_endo -64.33 -32.14 61.77 Favored 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 120.668 0.912 . . . . 0.0 111.467 -179.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.474 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.0 -38.84 86.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.255 -0.903 . . . . 0.0 109.448 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.96 -39.73 72.4 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -63.89 -39.46 94.24 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.981 -1.488 . . . . 0.0 109.479 177.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.2 t80 -62.61 -45.32 93.44 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 122.59 1.186 . . . . 0.0 108.711 -177.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.474 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.6 t -62.75 -42.22 95.39 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.667 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.78 -40.32 96.4 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.277 -0.889 . . . . 0.0 109.833 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.535 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.77 -39.69 80.09 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.423 -0.798 . . . . 0.0 109.591 177.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.11 -43.93 91.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.599 -1.313 . . . . 0.0 109.477 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.41 -16.09 43.21 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 121.288 -0.883 . . . . 0.0 113.351 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -77.01 -10.54 86.21 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 119.884 -1.76 . . . . 0.0 109.272 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.403 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.41 143.29 32.89 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.26 -1.729 . . . . 0.0 110.088 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.62 -29.99 59.37 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.227 -0.921 . . . . 0.0 112.346 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.75 158.57 10.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 119.768 -1.832 . . . . 0.0 112.804 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.577 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.9 130.22 35.38 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 102.865 -3.013 . . . . 0.0 102.865 171.219 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.75 136.55 60.47 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.405 0 CA-C-O 122.195 0.998 . . . . 0.0 109.303 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 94.0 m -124.9 143.28 50.93 Favored 'General case' 0 C--N 1.286 -2.174 0 CA-C-O 123.129 1.442 . . . . 0.0 109.957 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.4 t -108.17 129.97 61.51 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.693 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 173.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.5 m -127.48 119.59 26.43 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 120.881 -1.137 . . . . 0.0 108.887 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.55 122.62 39.31 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.861 177.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.7 38.92 24.11 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.87 -1.144 . . . . 0.0 112.761 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.74 11.03 83.44 Favored Glycine 0 N--CA 1.501 3.02 0 O-C-N 119.951 -1.718 . . . . 0.0 112.491 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.89 136.2 54.59 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 105.283 -2.118 . . . . 0.0 105.283 177.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.6 m -124.74 158.47 33.2 Favored 'General case' 0 C--N 1.275 -2.645 0 CA-C-O 123.847 1.784 . . . . 0.0 112.449 -176.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.62 151.4 31.47 Favored 'General case' 0 C--N 1.279 -2.499 0 CA-C-N 112.474 -2.148 . . . . 0.0 108.63 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.56 136.0 48.95 Favored 'General case' 0 C--N 1.292 -1.895 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 173.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.04 -6.74 47.57 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 120.73 -1.231 . . . . 0.0 110.723 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.5 12.99 31.48 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.678 -1.264 . . . . 0.0 109.396 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 38.4 t -133.12 104.19 6.39 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.203 1.001 . . . . 0.0 110.046 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.409 HD22 ' CE ' ' A' ' 9' ' ' MET . 63.4 tp -57.33 -37.81 73.11 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.926 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . 0.487 ' HB3' ' HZ1' ' C' ' 67' ' ' LYS . 73.0 m-85 -58.88 -51.39 70.24 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.581 -1.325 . . . . 0.0 113.075 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.07 -32.38 70.44 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 119.515 -1.991 . . . . 0.0 109.238 -178.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.83 -33.66 75.71 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.919 -1.112 . . . . 0.0 109.966 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.565 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 52.6 tt0 -67.72 -10.45 52.61 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 121.683 -0.636 . . . . 0.0 109.954 -177.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 37.8 p -89.82 -7.63 53.91 Favored 'General case' 0 N--CA 1.502 2.132 0 C-N-CA 118.069 -1.452 . . . . 0.0 110.936 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 95.7 mt -93.42 159.3 15.31 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.21 -0.931 . . . . 0.0 110.212 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.78 2.96 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 106.969 -2.452 . . . . 0.0 106.969 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 90.3 mt -119.56 47.45 1.71 Allowed 'General case' 0 C--N 1.309 -1.181 0 O-C-N 120.749 -1.442 . . . . 0.0 107.383 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.429 HG22 HG21 ' C' ' 56' ' ' THR . 58.3 p -81.45 172.51 13.43 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 118.791 -1.163 . . . . 0.0 109.229 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -60.69 140.87 57.34 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 119.339 -0.944 . . . . 0.0 109.839 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.44 -3.18 78.92 Favored Glycine 0 N--CA 1.501 3.013 0 C-N-CA 119.976 -1.106 . . . . 0.0 111.316 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 54.9 m -84.41 135.91 34.08 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 120.918 -1.342 . . . . 0.0 110.656 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.9 t -96.5 123.73 48.92 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 176.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.493 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.8 m -112.16 160.13 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.322 0 C-N-CA 117.403 -1.719 . . . . 0.0 110.634 178.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.424 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.99 128.36 54.88 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 120.501 -1.374 . . . . 0.0 107.598 175.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.8 mt -107.82 121.41 60.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 105.435 -2.061 . . . . 0.0 105.435 176.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.27 50.71 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -179.524 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.76 153.38 47.15 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 118.487 -1.285 . . . . 0.0 109.759 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.16 110.79 6.43 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 118.55 -1.26 . . . . 0.0 108.009 178.183 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.27 40.15 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 117.989 -2.053 . . . . 0.0 110.347 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.46 -40.48 82.78 Favored 'General case' 0 C--N 1.277 -2.569 0 CA-C-N 114.408 -0.896 . . . . 0.0 112.165 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.06 36.7 3.58 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 115.918 -2.313 . . . . 0.0 108.538 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.39 -33.52 65.84 Favored 'General case' 0 N--CA 1.523 3.18 0 N-CA-C 116.826 2.158 . . . . 0.0 116.826 -174.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.461 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.88 -45.64 27.42 Favored 'General case' 0 N--CA 1.509 2.509 0 O-C-N 119.586 -1.947 . . . . 0.0 110.958 -176.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.831 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.49 -40.71 97.8 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.5 77.6 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 117.48 -1.688 . . . . 0.0 109.995 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.3 t -66.77 -42.26 89.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.255 1.026 . . . . 0.0 109.268 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.88 -47.89 76.57 Favored 'General case' 0 C--N 1.287 -2.123 0 CA-C-O 122.081 0.943 . . . . 0.0 108.757 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.831 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.74 -38.37 76.8 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.748 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.8 mt -75.55 -28.66 59.1 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.421 -1.425 . . . . 0.0 110.93 -174.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.44 -39.51 71.33 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.85 -49.3 62.89 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.535 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.18 -45.24 83.86 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.012 -1.075 . . . . 0.0 110.536 177.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.493 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.36 -37.36 85.36 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.845 -1.159 . . . . 0.0 111.549 -177.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.86 61.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.112 -0.993 . . . . 0.0 110.248 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.91 -32.29 45.65 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.491 -0.756 . . . . 0.0 111.359 -179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.06 125.52 12.36 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-O 124.376 2.036 . . . . 0.0 112.843 178.648 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.805 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.0 mm-40 . . . . . 0 C--N 1.277 -2.554 0 CA-C-N 111.163 -2.744 . . . . 0.0 110.088 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.675 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.9 OUTLIER -61.49 -38.03 85.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.537 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 6' ' ' GLU . 80.6 tt0 -60.37 -75.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.972 0.415 . . . . 0.0 110.538 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.633 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.2 mt -38.6 -37.5 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.38 -179.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -63.29 -48.63 77.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.01 0.433 . . . . 0.0 110.31 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 3' ' ' GLU . 96.6 mt-10 -66.95 -37.33 84.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.243 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.93 -43.32 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.406 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.655 HG21 HG13 ' A' ' 73' ' ' VAL . 78.3 t -61.01 -44.87 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.947 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.409 ' CE ' HD22 ' D' ' 347' ' ' LEU . 90.8 mtp -58.74 -41.98 87.73 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.67 -41.54 97.68 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.5 mt -63.18 -43.36 98.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.828 0.347 . . . . 0.0 110.187 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.28 -43.98 98.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.804 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.552 HD11 ' HB1' ' D' ' 320' ' ' ALA . 89.2 mt -63.72 -44.22 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.947 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -61.74 -45.91 91.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.84 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.3 m -60.77 -44.25 97.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.997 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.5 -42.46 97.5 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.749 ' NE2' HH21 ' D' ' 317' ' ' ARG . 91.3 mm-40 -63.63 -45.67 89.18 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.56 80.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.837 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -59.99 -45.94 91.07 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.1 m -57.1 -43.97 82.78 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.73 -42.18 99.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.693 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.572 ' HB1' ' CD1' ' A' ' 91' ' ' ILE . . . -56.64 -48.66 77.05 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -59.48 -39.44 83.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.63 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.95 95.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.768 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.95 -43.26 91.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.595 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.67 -44.51 96.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.459 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -56.12 -41.51 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -62.1 -41.03 97.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.74 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.87 -42.39 97.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.71 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.48 -29.1 69.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.167 178.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -80.02 -3.75 49.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.483 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.79 14.58 67.27 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.7 79.37 2.23 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 120.785 0.326 . . . . 0.0 110.259 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -65.2 -34.26 77.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.663 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.5 78.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.055 0.455 . . . . 0.0 110.745 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -35.4 80.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.52 84.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.556 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.51 -41.62 98.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.634 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.25 93.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.793 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 97.3 mmm -65.24 -40.74 94.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.516 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.17 -41.63 99.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.628 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -63.0 -44.8 95.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.022 0.439 . . . . 0.0 110.546 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -63.68 -41.48 98.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.246 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -61.5 -45.18 95.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.589 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.415 ' HA ' HH11 ' A' ' 88' ' ' ARG . 62.8 ttm-85 -60.85 -43.1 98.78 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.257 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.9 -43.93 97.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.145 0.498 . . . . 0.0 110.526 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.56 -43.71 98.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.17 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 84' ' ' SER . 12.0 mt -65.6 -39.63 91.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.667 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -59.99 -43.84 94.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.245 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.17 -38.49 90.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.236 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.4 80.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.48 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -63.57 -37.5 87.56 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.441 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.97 -41.94 97.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.376 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.07 -43.37 97.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.045 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.57 ' OE1' HD12 ' A' ' 81' ' ' LEU . 28.3 tt0 -60.45 -42.06 95.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.29 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 76.0 m -56.84 -44.21 81.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.041 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.98 -39.6 95.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.917 0.389 . . . . 0.0 110.53 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.445 HD22 ' CD2' ' A' ' 4' ' ' LEU . 96.3 mt -66.09 -30.61 71.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.693 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -83.17 -34.54 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.861 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -77.17 -31.4 55.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.492 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.32 163.76 0.49 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -83.95 -87.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.577 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.53 146.22 54.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.522 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.08 -13.07 75.31 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -71.43 115.22 10.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.664 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.35 23.03 78.15 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -57.96 133.04 55.14 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.691 0.281 . . . . 0.0 110.457 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mtt -105.06 136.96 43.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.632 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' HG2' HG23 ' A' ' 70' ' ' VAL . 65.4 tttm -79.39 -78.25 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.577 HG21 ' OE1' ' B' ' 76' ' ' GLU . 54.0 t -109.7 130.46 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.714 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 75' ' ' VAL . 84.0 p -129.65 162.56 28.03 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.25 -44.99 84.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.61 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.655 HG13 HG21 ' A' ' 8' ' ' VAL . 56.9 t -63.6 -47.41 91.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.514 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 74' ' ' LEU . 91.8 mt -62.95 -40.33 97.33 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.043 0.449 . . . . 0.0 110.911 -178.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 71' ' ' SER . 55.5 t -58.91 -47.35 89.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.145 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' OE1' HG21 ' C' ' 70' ' ' VAL . 84.8 tt0 -58.93 -44.61 91.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.804 0.335 . . . . 0.0 110.364 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.12 -44.08 89.89 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.668 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -63.24 -41.52 99.09 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.067 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 83' ' ' THR . 59.3 tp -57.79 -46.53 84.49 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.421 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.4 ' O ' ' OG1' ' A' ' 83' ' ' THR . 68.6 m80 -67.74 -48.46 66.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.671 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.57 HD12 ' OE1' ' A' ' 55' ' ' GLN . 14.7 mt -61.83 -44.97 95.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.808 -178.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.5 mmm -60.6 -44.64 96.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.185 -179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.3 p -61.8 -43.99 97.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.07 179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.422 ' HB2' HD21 ' A' ' 48' ' ' LEU . 78.1 p -62.81 -48.52 78.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.515 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.454 ' CE ' HH12 ' B' ' 19' ' ' ARG . 54.0 ttp -58.05 -47.77 82.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.523 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.22 -45.0 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.032 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.17 -45.36 91.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.806 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.415 HH11 ' HA ' ' A' ' 45' ' ' ARG . 53.8 ttp180 -58.31 -47.14 84.65 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.075 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 99.1 mt-10 -61.52 -43.53 98.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.024 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.95 -43.76 91.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.172 0.511 . . . . 0.0 109.852 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.572 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 75.9 mt -60.96 -42.54 93.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.272 -179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -57.64 -45.52 85.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.05 0.452 . . . . 0.0 109.902 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.535 ' OE1' HD13 ' B' ' 94' ' ' LEU . 98.2 mt-10 -63.69 -42.75 97.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.563 179.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.508 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 77.6 mt -59.95 -43.7 94.84 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 88.7 mt -60.84 -42.95 94.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.505 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.56 -40.21 90.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.134 0.492 . . . . 0.0 109.763 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.4 mt -62.45 -41.39 98.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.901 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.508 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 63.3 m80 -58.61 -41.0 84.88 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -59.9 -39.06 84.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.19 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.7 -35.22 80.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.278 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.44 -7.53 59.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.7 tptp 67.05 21.52 10.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.511 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.878 -1.058 . . . . 0.0 110.543 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.684 ' H ' ' CD ' ' B' ' 2' ' ' GLU . 0.9 OUTLIER -61.55 -37.85 85.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 -179.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' B' ' 6' ' ' GLU . 80.5 tt0 -60.52 -75.96 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.437 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.608 ' O ' HG23 ' B' ' 8' ' ' VAL . 98.1 mt -38.31 -37.6 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.423 -179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -63.42 -48.72 76.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.902 0.382 . . . . 0.0 110.285 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' B' ' 3' ' ' GLU . 96.6 mt-10 -66.61 -37.35 84.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.159 179.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.16 -43.12 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.324 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.627 HG21 HG13 ' B' ' 73' ' ' VAL . 78.3 t -61.26 -44.71 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.868 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.3 mtp -59.08 -41.88 89.07 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.41 -41.8 97.91 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.223 -1.151 . . . . 0.0 110.223 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 31.2 mt -63.08 -43.34 98.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.746 0.308 . . . . 0.0 110.357 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.31 -44.15 98.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.719 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.63 -44.01 98.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.892 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -61.91 -46.09 90.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.822 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 66.2 m -60.63 -44.28 96.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.055 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.36 -42.28 97.77 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.084 -1.206 . . . . 0.0 110.084 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -63.87 -45.78 87.89 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.96 -48.75 79.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.9 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 69.9 ttt180 -60.02 -45.95 91.11 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.8 m -56.97 -44.04 82.25 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 80.3 mt -62.51 -42.76 99.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.783 178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.578 ' HB1' ' CD1' ' B' ' 91' ' ' ILE . . . -56.12 -48.64 75.82 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.485 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 21.9 m-85 -59.64 -39.36 84.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.693 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.16 96.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.719 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.65 -43.45 89.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.635 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 55.4 tp -61.62 -44.71 96.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.34 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -55.97 -41.62 75.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -61.86 -41.3 97.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.836 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.75 96.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.712 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.37 -29.05 69.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.086 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -80.14 -3.73 50.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.39 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.71 14.68 67.26 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -99.66 79.06 2.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.781 0.324 . . . . 0.0 110.299 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -65.22 -33.91 77.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.57 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.79 76.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.052 0.454 . . . . 0.0 110.808 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.19 -35.21 80.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.422 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.54 84.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.507 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 110.575 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.48 92.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.666 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 97.4 mmm -65.3 -40.55 93.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.538 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . . . . . . . . . 3.5 mmt -63.12 -42.15 99.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.553 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -62.63 -44.96 94.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.45 -41.72 98.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.27 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 62.5 m -61.37 -45.45 94.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -60.53 -43.1 97.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 110.33 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.6 ttp -60.82 -43.91 97.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.313 0.578 . . . . 0.0 110.643 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.58 98.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.236 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.413 HD21 ' HB2' ' B' ' 84' ' ' SER . 11.8 mt -65.7 -39.46 91.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.695 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' B' ' 49' ' ' ASN . 51.4 t-20 -60.02 -44.07 94.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.312 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -64.9 -38.83 92.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.153 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.54 -44.52 82.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.455 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -63.61 -37.73 88.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.326 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 53' ' ' LEU . 40.4 mt -60.76 -42.06 96.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.8 t -64.0 -43.45 97.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.101 0.477 . . . . 0.0 110.035 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.57 ' OE1' HD12 ' B' ' 81' ' ' LEU . 28.0 tt0 -60.52 -41.94 95.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.267 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 72.4 m -56.98 -44.25 82.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.931 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.94 -39.69 95.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.859 0.361 . . . . 0.0 110.546 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.455 HD22 ' CD2' ' B' ' 4' ' ' LEU . 94.9 mt -66.0 -30.71 71.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.643 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -82.96 -34.75 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.786 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -77.12 -31.24 55.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.523 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.27 163.62 0.47 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -83.74 -87.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.855 0.359 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.05 146.52 54.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.389 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.25 -13.43 73.97 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -71.2 115.37 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.63 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.43 22.96 78.12 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -57.89 133.23 55.27 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.543 0.211 . . . . 0.0 110.451 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 66.2 mtt -105.33 137.32 43.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.643 179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.426 ' HG2' HG23 ' B' ' 70' ' ' VAL . 64.7 tttm -80.03 -77.95 0.18 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.882 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.546 HG21 ' OE1' ' C' ' 76' ' ' GLU . 68.1 t -110.63 129.91 64.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.802 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.603 ' O ' HG23 ' B' ' 75' ' ' VAL . 89.8 p -129.03 164.43 23.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.568 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.97 -44.42 94.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.524 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.627 HG13 HG21 ' B' ' 8' ' ' VAL . 54.5 t -62.89 -46.75 95.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.655 -178.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 92.7 mt -63.39 -40.01 96.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.947 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.603 HG23 ' O ' ' B' ' 71' ' ' SER . 55.7 t -58.97 -47.04 91.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.308 -179.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.577 ' OE1' HG21 ' A' ' 70' ' ' VAL . 76.9 tt0 -58.97 -45.13 91.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.26 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.16 91.06 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.903 0.382 . . . . 0.0 110.421 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -63.09 -41.64 99.45 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.204 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.486 ' O ' HG23 ' B' ' 83' ' ' THR . 58.7 tp -57.84 -46.73 84.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.414 ' O ' ' OG1' ' B' ' 83' ' ' THR . 69.3 m80 -67.38 -48.58 67.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.743 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.57 HD12 ' OE1' ' B' ' 55' ' ' GLN . 14.7 mt -61.88 -44.97 95.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -60.54 -44.63 95.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.238 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.486 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.6 p -61.69 -44.12 97.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . 0.413 ' HB2' HD21 ' B' ' 48' ' ' LEU . 78.2 p -62.87 -48.56 78.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . 0.444 ' CE ' HH12 ' C' ' 19' ' ' ARG . 53.6 ttp -57.89 -47.79 81.75 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.525 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.34 -44.54 97.01 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.096 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.25 -45.62 90.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.839 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -58.29 -46.91 85.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.228 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.539 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 99.1 mt-10 -61.74 -43.74 98.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.166 -179.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.76 -43.58 92.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.103 0.477 . . . . 0.0 109.982 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.578 ' CD1' ' HB1' ' B' ' 22' ' ' ALA . 75.5 mt -61.02 -42.6 93.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.161 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.44 -45.64 84.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.068 0.461 . . . . 0.0 109.871 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . 0.52 ' OE1' HD13 ' C' ' 94' ' ' LEU . 98.6 mt-10 -63.92 -42.59 97.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.472 179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.535 HD13 ' OE1' ' A' ' 93' ' ' GLU . 77.9 mt -59.85 -43.82 94.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.76 -43.17 94.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.502 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.31 -40.2 89.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.78 179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.39 -41.65 98.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.833 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 63.6 m80 -58.4 -40.81 83.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.762 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -60.19 -38.76 84.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.043 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.22 -35.0 79.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.198 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 86.0 mt -83.39 -7.72 59.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.442 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 16.0 tptp 67.2 21.33 10.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.571 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.921 -1.037 . . . . 0.0 110.551 -179.88 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.663 ' H ' ' CD ' ' C' ' 2' ' ' GLU . 0.8 OUTLIER -61.4 -38.02 85.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.76 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' C' ' 6' ' ' GLU . 81.1 tt0 -60.4 -75.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.389 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.62 ' O ' HG23 ' C' ' 8' ' ' VAL . 98.0 mt -38.45 -37.53 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.43 -179.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 51.5 tp10 -63.3 -48.63 77.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 110.456 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' C' ' 3' ' ' GLU . 96.8 mt-10 -66.99 -36.76 82.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.331 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.44 -43.11 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.354 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.62 HG23 ' O ' ' C' ' 4' ' ' LEU . 78.6 t -61.31 -44.69 98.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.006 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.6 mtp -59.2 -42.15 90.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.12 -41.91 98.25 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' C' ' 11' ' ' LEU . 30.6 mt -62.75 -43.69 98.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.364 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.15 -44.06 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.7 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -63.52 -44.19 98.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.006 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.83 -45.87 91.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.856 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 66.4 m -60.67 -44.3 96.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.161 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.48 -42.25 97.62 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -63.7 -45.62 89.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.81 79.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.539 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 70.5 ttt180 -60.06 -45.55 92.47 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 64.9 m -57.46 -44.08 84.51 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.37 -42.39 99.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.675 178.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.577 ' HB1' ' CD1' ' C' ' 91' ' ' ILE . . . -56.55 -48.68 76.78 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.481 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.1 m-85 -59.52 -39.26 83.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.555 178.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.75 96.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.721 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.11 92.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.578 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.8 -45.03 95.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.364 179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -55.7 -41.94 74.52 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -61.58 -41.24 97.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.939 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.69 96.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.824 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.49 -29.24 69.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.048 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -79.61 -4.17 50.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.492 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.29 14.32 66.59 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -99.56 79.21 2.24 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.78 0.324 . . . . 0.0 110.283 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -65.31 -33.97 77.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.483 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.44 77.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 110.697 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.26 80.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.373 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.95 -47.04 86.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.455 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.98 -41.9 99.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.521 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.26 -45.28 94.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.75 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 97.5 mmm -65.2 -40.98 94.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . . . . . . . . . 3.4 mmt -63.06 -41.84 99.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.597 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -63.05 -44.78 94.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.399 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -63.45 -42.01 98.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.308 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 67.4 m -61.01 -45.58 94.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.45 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.4 ' HA ' HH11 ' C' ' 88' ' ' ARG . 63.1 ttm-85 -60.45 -43.08 97.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.872 0.367 . . . . 0.0 110.34 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.5 ttp -60.72 -44.26 96.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.366 0.603 . . . . 0.0 110.494 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.21 -43.79 98.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.334 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' C' ' 84' ' ' SER . 11.8 mt -65.61 -39.85 91.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.77 -43.84 94.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.387 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.15 -39.07 92.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.03 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.77 82.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.465 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.528 ' CD2' ' ND2' ' D' ' 312' ' ' ASN . 29.2 t-80 -63.48 -37.64 88.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.29 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' C' ' 53' ' ' LEU . 39.5 mt -61.03 -41.86 97.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.336 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -63.88 -43.44 97.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.044 0.449 . . . . 0.0 109.957 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.575 ' OE1' HD12 ' C' ' 81' ' ' LEU . 28.1 tt0 -60.62 -42.16 96.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.264 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.429 HG21 HG22 ' D' ' 356' ' ' THR . 76.5 m -56.52 -44.4 80.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.129 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -63.1 -39.32 94.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.501 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' C' ' 4' ' ' LEU . 95.4 mt -65.88 -30.97 71.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.401 HG13 HD22 ' C' ' 74' ' ' LEU . 96.4 mt -82.97 -34.44 11.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.838 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.565 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 69.3 mm-40 -77.39 -31.4 54.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.44 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.62 163.87 0.57 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -84.28 -87.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.794 0.331 . . . . 0.0 110.526 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.84 146.1 54.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.509 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.1 -13.37 74.53 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -71.05 115.5 10.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 110.56 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.52 22.63 78.33 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . 0.487 ' HZ1' ' HB3' ' D' ' 348' ' ' PHE . 60.8 pttt -57.52 133.08 54.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.597 0.237 . . . . 0.0 110.552 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 66.2 mtt -105.49 137.11 43.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.569 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.423 ' HG2' HG23 ' C' ' 70' ' ' VAL . 64.4 tttm -79.6 -78.38 0.16 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.508 HG21 ' OE1' ' A' ' 76' ' ' GLU . 66.5 t -110.19 129.62 64.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.802 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.612 ' O ' HG23 ' C' ' 75' ' ' VAL . 89.7 p -127.99 166.66 17.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.523 -178.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' C' ' 72' ' ' LEU . 74.6 mt -61.6 -43.61 98.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.689 -177.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.619 HG13 HG21 ' C' ' 8' ' ' VAL . 54.4 t -64.14 -47.29 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 130.061 3.344 . . . . 0.0 110.636 -178.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.401 HD22 HG13 ' C' ' 59' ' ' ILE . 97.1 mt -65.28 -39.73 92.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 177.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.612 HG23 ' O ' ' C' ' 71' ' ' SER . 54.7 t -59.23 -47.45 90.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.186 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . 0.546 ' OE1' HG21 ' B' ' 70' ' ' VAL . 76.3 tt0 -59.2 -45.1 91.96 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.89 91.85 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.814 0.34 . . . . 0.0 110.393 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.47 -41.27 98.61 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.27 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.485 ' O ' HG23 ' C' ' 83' ' ' THR . 58.1 tp -58.12 -46.73 85.1 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.547 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -67.57 -48.17 67.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.738 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . 0.575 HD12 ' OE1' ' C' ' 55' ' ' GLN . 14.7 mt -62.12 -45.01 95.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.848 -178.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -60.56 -44.53 96.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.361 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.485 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.8 p -61.83 -43.9 97.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.15 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . 0.416 ' HB2' HD21 ' C' ' 48' ' ' LEU . 77.7 p -63.11 -48.21 79.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.552 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 54.6 ttp -58.1 -48.14 81.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.705 0.288 . . . . 0.0 110.479 -179.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -60.98 -44.89 96.72 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.131 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -46.1 88.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.935 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.4 HH11 ' HA ' ' C' ' 45' ' ' ARG . 53.8 ttp180 -57.86 -47.27 83.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.262 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.21 -43.61 98.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.903 0.383 . . . . 0.0 110.179 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.12 -43.63 91.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.177 0.513 . . . . 0.0 110.024 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.577 ' CD1' ' HB1' ' C' ' 22' ' ' ALA . 75.6 mt -60.86 -42.61 93.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.347 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.5 m -57.41 -45.67 84.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.092 0.472 . . . . 0.0 109.982 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.86 -42.81 97.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.497 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.52 HD13 ' OE1' ' B' ' 93' ' ' GLU . 78.6 mt -59.59 -43.83 93.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.73 -43.12 94.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.561 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -60.48 -39.92 89.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.709 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' C' ' 97' ' ' LEU . 86.1 mt -62.49 -41.57 98.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.857 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.475 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 64.1 m80 -58.5 -41.32 85.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -59.72 -38.89 82.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.86 -35.16 80.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.224 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 87.8 mt -83.57 -7.76 59.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.267 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 16.0 tptp 67.51 21.24 9.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.533 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.518 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.531 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 C--O 1.216 -0.71 0 CA-C-O 121.873 0.844 . . . . 0.0 108.898 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.9 t80 -139.79 142.97 36.68 Favored 'General case' 0 C--N 1.287 -2.121 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 178.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.26 38.52 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.968 -1.083 . . . . 0.0 109.528 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.478 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.0 mm-40 -152.1 149.19 28.54 Favored 'General case' 0 C--N 1.294 -1.826 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.25 152.27 19.02 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.999 -1.063 . . . . 0.0 108.392 178.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.81 144.29 19.3 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 107.499 -1.296 . . . . 0.0 107.499 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.5 m -96.64 136.55 37.01 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.164 0.983 . . . . 0.0 110.192 177.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -84.94 114.31 24.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.86 -4.33 19.34 Favored 'General case' 0 C--N 1.265 -3.085 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.811 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.5 141.85 85.85 Favored Pre-proline 0 N--CA 1.5 2.071 0 O-C-N 119.765 -1.834 . . . . 0.0 110.661 178.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -45.49 -47.67 12.88 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 124.725 3.617 . . . . 0.0 114.172 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -102.17 27.57 6.56 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 116.066 -2.254 . . . . 0.0 108.787 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 71.11 -93.73 0.52 Allowed Glycine 0 N--CA 1.496 2.655 0 C-N-CA 117.674 -2.203 . . . . 0.0 109.617 -175.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.537 ' O ' HD12 ' D' ' 314' ' ' LEU . 0.8 OUTLIER -169.99 59.14 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.904 -1.351 . . . . 0.0 109.524 179.82 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.783 ' CE1' ' HG1' ' D' ' 316' ' ' THR . 3.1 p80 -52.69 -171.56 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 117.856 -1.538 . . . . 0.0 112.09 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.783 ' HG1' ' CE1' ' D' ' 315' ' ' HIS . 44.9 p -31.23 -65.95 0.12 Allowed 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 117.212 2.301 . . . . 0.0 117.212 -176.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.461 ' HE ' ' CA ' ' A' ' 16' ' ' GLY . 0.7 OUTLIER -45.21 -65.79 0.59 Allowed Pre-proline 0 N--CA 1.492 1.674 0 C-N-CA 120.149 -0.62 . . . . 0.0 112.581 -176.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -64.67 -32.18 57.94 Favored 'Trans proline' 0 N--CA 1.484 0.963 0 C-N-CA 121.259 1.306 . . . . 0.0 111.514 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.465 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.0 -38.88 86.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.196 -0.94 . . . . 0.0 109.471 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.9 -39.8 72.56 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -64.0 -39.31 93.82 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 117.964 -1.494 . . . . 0.0 109.459 177.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.441 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.66 -45.41 92.96 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 122.598 1.19 . . . . 0.0 108.698 -177.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.465 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.2 t -62.6 -42.2 95.04 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.281 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.694 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -63.89 -40.28 96.14 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.231 -0.918 . . . . 0.0 109.708 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.72 -39.84 80.2 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.453 -0.779 . . . . 0.0 109.564 177.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.94 91.61 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.599 -1.313 . . . . 0.0 109.482 178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.38 -16.25 44.51 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.9 -10.53 86.11 Favored Glycine 0 N--CA 1.479 1.551 0 O-C-N 119.956 -1.715 . . . . 0.0 109.246 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.9 m-85 -103.5 143.32 32.88 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.275 -1.721 . . . . 0.0 110.023 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.4 p -75.62 -30.06 59.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.254 -0.903 . . . . 0.0 112.315 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.74 158.57 10.08 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 119.723 -1.861 . . . . 0.0 112.826 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.94 130.3 35.43 Favored 'General case' 0 C--N 1.311 -1.096 0 N-CA-C 102.798 -3.038 . . . . 0.0 102.798 171.268 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.9 mt -126.74 136.56 60.44 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.448 0 CA-C-O 122.215 1.007 . . . . 0.0 109.287 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.6 m -124.95 143.12 51.04 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-O 123.092 1.425 . . . . 0.0 110.025 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 86.3 t -108.0 130.01 61.19 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.718 0 N-CA-C 105.565 -2.013 . . . . 0.0 105.565 173.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.8 m -127.52 119.47 26.11 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.844 -1.16 . . . . 0.0 108.944 -178.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.5 122.61 39.32 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.534 -0.729 . . . . 0.0 109.918 177.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.7 38.92 24.14 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.936 -1.103 . . . . 0.0 112.798 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.67 11.07 83.46 Favored Glycine 0 N--CA 1.501 3.006 0 O-C-N 119.913 -1.742 . . . . 0.0 112.57 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.4 mttp -119.87 136.23 54.57 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.9 m -124.75 158.55 33.02 Favored 'General case' 0 C--N 1.275 -2.651 0 CA-C-O 123.83 1.776 . . . . 0.0 112.388 -176.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.66 151.5 31.56 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-N 112.45 -2.159 . . . . 0.0 108.569 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.7 135.95 48.66 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.92 -6.81 47.7 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.724 -1.235 . . . . 0.0 110.72 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -97.52 12.93 31.71 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.627 -1.296 . . . . 0.0 109.393 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.0 t -133.04 104.12 6.37 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-O 122.178 0.99 . . . . 0.0 110.145 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . . . . . . . . . 51.6 tp -57.19 -37.96 72.93 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.982 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -58.83 -51.37 70.28 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.61 -1.306 . . . . 0.0 113.126 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . 0.549 ' NZ ' ' OE2' ' C' ' 65' ' ' GLU . 37.6 tptt -70.05 -32.46 70.58 Favored 'General case' 0 C--O 1.213 -0.845 0 O-C-N 119.498 -2.001 . . . . 0.0 109.193 -178.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.77 -33.7 75.7 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 118.939 -1.105 . . . . 0.0 109.965 -177.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.603 ' NE2' ' OE2' ' C' ' 60' ' ' GLU . 44.4 tp60 -67.71 -10.49 52.96 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.646 -0.659 . . . . 0.0 109.87 -177.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . 0.588 HG22 ' O ' ' C' ' 63' ' ' ALA . 34.5 p -89.69 -7.8 53.79 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 118.188 -1.405 . . . . 0.0 110.961 -178.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . 0.52 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 96.2 mt -93.26 159.35 15.31 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.157 -0.964 . . . . 0.0 110.153 -178.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.74 104.84 2.97 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 106.912 -2.475 . . . . 0.0 106.912 177.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' D' ' 361' ' ' VAL . 74.3 mt -119.6 47.41 1.72 Allowed 'General case' 0 C--N 1.31 -1.135 0 O-C-N 120.638 -1.507 . . . . 0.0 107.335 -178.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.596 HG22 HG21 ' C' ' 56' ' ' THR . 58.2 p -81.41 172.51 13.46 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 118.852 -1.139 . . . . 0.0 109.246 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -60.68 140.85 57.33 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.4 -0.92 . . . . 0.0 109.817 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.49 -3.18 78.72 Favored Glycine 0 N--CA 1.501 3.025 0 C-N-CA 120.043 -1.075 . . . . 0.0 111.344 177.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.46 136.0 34.02 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.888 -1.36 . . . . 0.0 110.594 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.61 123.72 49.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 176.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.18 160.11 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.338 0 C-N-CA 117.412 -1.715 . . . . 0.0 110.622 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.423 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 89.7 m -108.91 128.39 54.89 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.487 -1.383 . . . . 0.0 107.567 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.86 121.49 60.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 176.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.2 50.71 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -179.608 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.72 153.48 47.23 Favored 'General case' 0 C--N 1.292 -1.9 0 C-N-CA 118.478 -1.289 . . . . 0.0 109.753 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.531 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.25 110.79 6.41 Favored 'General case' 0 C--N 1.288 -2.084 0 C-N-CA 118.524 -1.271 . . . . 0.0 108.031 178.205 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.25 -170.33 40.16 Favored Glycine 0 C--N 1.296 -1.65 0 C-N-CA 117.963 -2.065 . . . . 0.0 110.319 178.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.29 -40.66 82.54 Favored 'General case' 0 C--N 1.276 -2.605 0 CA-C-N 114.327 -0.936 . . . . 0.0 112.239 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.2 p30 -114.08 36.84 3.53 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 115.894 -2.322 . . . . 0.0 108.625 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.36 -33.62 65.85 Favored 'General case' 0 N--CA 1.521 3.086 0 N-CA-C 116.82 2.155 . . . . 0.0 116.82 -174.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.451 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.61 27.76 Favored 'General case' 0 N--CA 1.509 2.522 0 O-C-N 119.621 -1.924 . . . . 0.0 110.984 -176.539 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.778 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 12.0 ttpp -63.55 -40.68 97.62 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.43 77.86 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 117.452 -1.699 . . . . 0.0 110.058 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.7 t -66.81 -42.26 88.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 CA-C-O 122.216 1.008 . . . . 0.0 109.314 -178.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -55.91 -47.9 76.63 Favored 'General case' 0 C--N 1.286 -2.191 0 CA-C-O 122.059 0.933 . . . . 0.0 108.724 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.778 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.77 -38.32 76.68 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.707 -178.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.5 mt -75.61 -28.64 58.95 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.371 -1.456 . . . . 0.0 110.919 -174.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.5 71.41 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.42 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.82 -49.39 62.51 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.17 -45.18 83.89 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.05 -1.06 . . . . 0.0 110.552 177.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.39 -37.37 85.5 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.871 -1.143 . . . . 0.0 111.547 -177.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.91 -31.84 61.66 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.122 -0.986 . . . . 0.0 110.227 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -78.88 -32.29 45.84 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.455 -0.778 . . . . 0.0 111.328 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.13 125.5 12.43 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 124.388 2.042 . . . . 0.0 112.853 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.811 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 32.0 tt0 . . . . . 0 C--N 1.278 -2.514 0 CA-C-N 111.094 -2.775 . . . . 0.0 110.151 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.502 ' O ' HG22 ' A' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -88.72 -76.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.502 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 6' ' ' GLU . 47.9 tp10 -63.17 138.17 58.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.438 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 8' ' ' VAL . 65.5 mt -39.25 -36.57 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.408 -179.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.73 -49.42 75.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.254 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 3' ' ' GLU . 97.5 mt-10 -65.79 -36.22 82.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.274 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 1' ' ' ALA . 75.3 t -63.73 -43.05 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.339 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 4' ' ' LEU . 71.7 t -61.05 -45.83 97.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.985 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.0 -42.22 89.55 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.02 -41.41 99.88 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 11' ' ' LEU . 31.6 mt -63.6 -43.21 97.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.901 0.382 . . . . 0.0 110.243 179.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.7 mt -63.01 -44.65 99.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.755 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.08 -44.63 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.967 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 0.6 OUTLIER -61.65 -45.73 92.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.743 179.703 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.5 m -59.92 -44.29 94.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.003 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.461 ' CA ' ' HE ' ' D' ' 317' ' ' ARG . . . -63.12 -42.64 99.45 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -63.77 -44.55 93.07 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.91 -49.28 77.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -61.02 -45.23 95.66 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.9 t -56.2 -44.5 79.53 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.48 -41.0 96.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.721 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.498 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -57.82 -47.68 81.95 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -59.51 -42.07 91.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.639 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.79 89.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.745 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.85 89.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.675 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.8 tp -61.7 -44.79 96.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.491 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.21 -42.73 73.69 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -60.2 -41.27 92.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.818 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.82 -42.25 93.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.7 179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -61.21 -30.08 70.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.15 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.38 -3.86 51.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.415 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.36 13.07 79.51 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -95.49 81.24 3.53 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.248 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -64.92 -34.41 78.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.65 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -47.94 81.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.057 0.456 . . . . 0.0 110.735 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.58 80.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.348 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.18 -48.29 79.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.586 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.38 -43.95 96.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.684 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.81 99.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.7 mmm -65.46 -42.32 92.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.517 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.569 ' SD ' HD12 ' A' ' 95' ' ' ILE . 73.8 mtm -63.84 -41.1 97.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -62.28 -45.54 92.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.993 0.425 . . . . 0.0 110.531 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.96 -41.5 97.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.2 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 67.3 m -60.52 -45.67 92.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.56 -42.53 96.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.307 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.85 -43.12 98.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.238 0.542 . . . . 0.0 110.605 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 -42.76 99.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.213 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.535 HD12 ' HE ' ' A' ' 88' ' ' ARG . 90.6 mt -64.75 -40.77 95.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.691 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -60.63 -41.9 95.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.248 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -65.1 -39.88 93.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.228 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.429 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.65 -43.75 83.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.476 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -63.29 -37.71 88.33 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.332 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 53' ' ' LEU . 36.7 mt -61.19 -43.56 98.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.309 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 63.7 t -65.84 -44.03 92.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.033 0.444 . . . . 0.0 110.019 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.457 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 68.0 tp60 -60.78 -43.25 98.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.269 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -59.83 -41.93 92.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.015 0.436 . . . . 0.0 110.025 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.18 -34.51 73.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.513 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' ASP . 90.4 mt -71.65 -60.07 2.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.735 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.401 ' CG1' HD22 ' A' ' 74' ' ' LEU . 70.0 mt -56.39 -36.75 48.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.858 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -74.02 -31.35 62.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.96 -10.86 60.86 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 58' ' ' LEU . 96.5 m-20 -92.73 -25.06 18.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.898 0.38 . . . . 0.0 110.619 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.39 91.05 3.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.576 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.33 176.16 41.61 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -70.3 117.27 11.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.352 . . . . 0.0 110.633 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.57 -0.31 81.73 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -103.09 147.1 27.41 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.756 0.313 . . . . 0.0 110.437 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.3 mmm -76.22 139.25 41.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.563 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -87.74 -4.76 58.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -99.11 116.15 41.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.678 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.59 ' O ' HG23 ' A' ' 75' ' ' VAL . 7.8 p -129.92 162.16 29.24 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.4 mt -57.09 -45.74 83.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.672 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.61 HG13 HG21 ' A' ' 8' ' ' VAL . 71.6 t -64.06 -47.83 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 120.896 0.379 . . . . 0.0 110.548 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.401 HD22 ' CG1' ' A' ' 59' ' ' ILE . 97.7 mt -63.22 -40.93 98.87 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -178.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 71' ' ' SER . 55.7 t -59.26 -47.18 91.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.155 -179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -59.16 -44.74 92.13 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.313 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -65.61 -43.46 89.53 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.609 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.3 -41.45 98.96 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.169 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.502 ' O ' HG23 ' A' ' 83' ' ' THR . 46.4 tp -57.79 -45.93 85.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.425 -179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -67.06 -46.83 73.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.713 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.67 -45.52 93.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.854 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.43 -43.48 98.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.242 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 79' ' ' LEU . 22.9 p -64.15 -47.15 81.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.128 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.43 -49.12 76.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.495 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -58.05 -47.4 83.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.566 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.4 tp -62.29 -45.36 93.63 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.103 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.4 85.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.856 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.535 ' HE ' HD12 ' A' ' 48' ' ' LEU . 8.9 tmm_? -58.16 -45.28 87.74 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.132 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.584 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 96.1 mt-10 -62.41 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.042 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.88 -42.74 94.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.178 0.513 . . . . 0.0 109.863 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.498 HD12 ' HB1' ' A' ' 22' ' ' ALA . 78.2 mt -60.61 -41.94 89.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 85.0 m -58.12 -45.55 87.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.018 0.437 . . . . 0.0 109.917 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -62.91 -43.71 98.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.542 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.559 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 81.0 mt -59.45 -43.34 93.2 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.569 HD12 ' SD ' ' A' ' 41' ' ' MET . 89.7 mt -61.94 -42.87 96.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.547 179.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.543 ' OE2' ' NZ ' ' B' ' 30' ' ' LYS . 81.1 tt0 -61.59 -38.76 88.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 97' ' ' LEU . 35.7 mt -61.79 -41.46 97.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.862 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.559 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.4 m80 -59.58 -38.12 80.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.467 ' O ' ' O ' ' A' ' 102' ' ' LYS . 81.2 tt0 -62.24 -40.61 96.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.204 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.413 ' HZ3' ' HG2' ' A' ' 96' ' ' GLU . 62.2 mttp -64.39 -38.94 92.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.244 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.96 -41.8 97.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.431 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 99' ' ' GLU . 64.5 mttp -92.62 142.2 27.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.516 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.616 -179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.501 ' O ' HG22 ' B' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -88.53 -76.79 0.38 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.602 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' B' ' 6' ' ' GLU . 48.2 tp10 -63.09 138.05 58.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.44 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.635 ' O ' HG23 ' B' ' 8' ' ' VAL . 65.1 mt -39.14 -36.64 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.468 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.9 -49.21 75.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 110.33 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' B' ' 3' ' ' GLU . 97.4 mt-10 -65.64 -36.44 83.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.218 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.501 HG22 ' O ' ' B' ' 1' ' ' ALA . 79.2 t -63.6 -42.92 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 4' ' ' LEU . 73.2 t -61.25 -45.7 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.851 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.22 -41.97 89.87 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.06 -41.91 99.72 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.23 -43.02 99.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.797 0.332 . . . . 0.0 110.409 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.46 -44.53 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.732 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.13 -44.34 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.92 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 0.6 OUTLIER -61.77 -45.95 91.69 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.811 179.634 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 41.1 m -59.73 -44.3 93.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.141 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.21 -42.53 99.34 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.055 -1.218 . . . . 0.0 110.055 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -63.47 -44.92 93.04 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.57 -49.28 76.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.879 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.584 ' NH2' ' OE1' ' A' ' 89' ' ' GLU . 68.8 ttt180 -61.07 -45.34 95.13 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.1 t -56.14 -44.12 78.91 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.62 -41.52 97.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.733 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.509 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -57.55 -47.73 81.23 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' A' ' 89' ' ' GLU . 22.3 m-85 -59.22 -42.3 90.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.663 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.61 88.4 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.738 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.62 91.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.658 179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.93 -44.85 95.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.333 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -55.08 -43.1 73.6 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -59.87 -41.25 91.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.933 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.12 93.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.75 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.543 ' NZ ' ' OE2' ' A' ' 96' ' ' GLU . 67.8 mttm -61.12 -30.27 70.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.02 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -80.15 -4.09 51.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.42 13.12 79.3 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -95.49 81.2 3.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.796 0.331 . . . . 0.0 110.293 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -65.03 -34.55 78.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.603 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.44 -47.95 81.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.97 0.415 . . . . 0.0 110.753 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.98 -35.77 81.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.434 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.14 -48.17 79.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.526 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.47 -44.26 96.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.791 0.329 . . . . 0.0 110.562 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.68 -41.76 99.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.68 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 90.5 mmm -65.66 -42.32 91.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.613 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.583 ' SD ' HD12 ' B' ' 95' ' ' ILE . 74.1 mtm -63.73 -41.26 98.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.549 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -62.11 -45.7 92.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.444 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.81 -41.68 97.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.272 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 66.1 m -60.33 -45.87 91.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.441 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -60.49 -42.45 96.35 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.327 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.81 -42.93 98.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.267 0.556 . . . . 0.0 110.657 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.05 99.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.186 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.539 HD12 ' HE ' ' B' ' 88' ' ' ARG . 90.1 mt -65.38 -40.67 93.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.77 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -60.78 -41.62 95.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.299 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.23 -40.26 93.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.156 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.44 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.08 -44.13 85.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.391 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.99 -38.15 90.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.288 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.75 -43.83 97.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.332 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 67.1 t -65.65 -43.6 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.049 0.452 . . . . 0.0 110.012 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.451 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 67.6 tp60 -61.27 -43.06 99.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.187 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 19.5 m -60.17 -41.87 93.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.959 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.31 -34.22 73.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.906 0.384 . . . . 0.0 110.553 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' B' ' 62' ' ' ASP . 90.0 mt -71.9 -60.08 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.703 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.402 ' CG1' HD22 ' B' ' 74' ' ' LEU . 69.4 mt -56.28 -36.97 48.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.764 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -74.06 -31.03 62.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.489 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -91.93 -10.76 61.0 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' B' ' 58' ' ' LEU . 97.5 m-20 -93.16 -25.04 18.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.513 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.59 91.23 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.355 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.34 176.21 41.64 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -70.26 117.71 12.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.719 0.295 . . . . 0.0 110.63 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.45 -0.25 81.42 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -103.06 147.6 26.77 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.649 0.261 . . . . 0.0 110.471 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.4 mmm -76.66 140.01 40.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.636 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -88.52 -4.14 58.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -100.59 115.89 42.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.64 ' O ' HG23 ' B' ' 75' ' ' VAL . 14.9 p -129.41 164.24 24.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.548 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 90.6 mt -59.78 -45.25 92.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.57 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.607 HG13 HG21 ' B' ' 8' ' ' VAL . 67.3 t -63.49 -46.83 94.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.646 -178.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . 0.402 HD22 ' CG1' ' B' ' 59' ' ' ILE . 98.5 mt -63.84 -40.13 95.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.64 HG23 ' O ' ' B' ' 71' ' ' SER . 55.7 t -59.97 -47.51 91.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.268 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -59.19 -44.71 92.22 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.341 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.451 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -65.16 -43.55 91.41 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.896 0.379 . . . . 0.0 110.41 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.5 -41.56 98.53 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.241 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.497 ' O ' HG23 ' B' ' 83' ' ' THR . 46.3 tp -57.65 -45.87 84.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.35 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -66.88 -47.22 72.51 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.786 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.38 -45.48 94.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.4 mmm -62.46 -43.39 98.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.188 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.497 HG23 ' O ' ' B' ' 79' ' ' LEU . 21.7 p -64.36 -46.85 81.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.149 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -62.65 -49.36 75.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.59 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.6 ttp -57.82 -47.56 82.29 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.528 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.85 -45.96 91.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.151 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.5 85.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.86 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.539 ' HE ' HD12 ' B' ' 48' ' ' LEU . 8.9 tmm_? -57.87 -45.54 86.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.262 -179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 96.7 mt-10 -62.04 -43.19 99.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.198 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.62 -42.57 95.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.066 0.46 . . . . 0.0 110.034 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.509 HD12 ' HB1' ' B' ' 22' ' ' ALA . 77.7 mt -60.77 -42.14 91.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.217 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 87.7 m -58.0 -45.5 86.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.028 0.442 . . . . 0.0 109.869 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -63.14 -43.37 98.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.515 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.552 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 81.6 mt -59.53 -43.64 93.42 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.583 HD12 ' SD ' ' B' ' 41' ' ' MET . 89.9 mt -61.81 -42.72 95.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.536 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.5 ' OE2' ' NZ ' ' C' ' 30' ' ' LYS . 80.1 tt0 -61.52 -39.4 90.88 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.417 ' HA ' HD23 ' B' ' 97' ' ' LEU . 34.8 mt -61.38 -41.18 96.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.83 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 70.7 m80 -59.75 -38.32 81.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' B' ' 102' ' ' LYS . 81.4 tt0 -62.23 -40.47 96.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.105 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -64.6 -38.76 92.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.201 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 101' ' ' LEU . 40.6 mt -64.02 -41.81 97.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.407 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' B' ' 99' ' ' GLU . 64.5 mttp -92.73 141.5 28.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.564 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.506 ' O ' HG22 ' C' ' 7' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -88.47 -76.4 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.588 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' C' ' 6' ' ' GLU . 47.3 tp10 -63.28 138.49 58.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.359 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.652 ' O ' HG23 ' C' ' 8' ' ' VAL . 65.5 mt -39.35 -36.7 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.408 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.73 -49.79 73.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.841 0.353 . . . . 0.0 110.361 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' C' ' 3' ' ' GLU . 97.8 mt-10 -65.29 -36.13 83.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.25 179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.506 HG22 ' O ' ' C' ' 1' ' ' ALA . 78.3 t -63.83 -42.9 97.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.391 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.652 HG23 ' O ' ' C' ' 4' ' ' LEU . 74.8 t -61.21 -45.55 98.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.021 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.0 mtp -59.36 -41.88 90.27 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.35 -41.55 99.41 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.184 -1.166 . . . . 0.0 110.184 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 11' ' ' LEU . 32.5 mt -63.43 -43.15 98.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.851 0.358 . . . . 0.0 110.352 179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.21 -44.68 99.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.71 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.77 -44.5 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.042 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 0.6 OUTLIER -61.85 -45.6 93.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.852 179.634 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 38.9 m -59.89 -44.22 94.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.202 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.54 -42.3 98.93 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -63.58 -44.79 93.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.78 -49.51 76.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.574 ' NH2' ' OE1' ' B' ' 89' ' ' GLU . 69.0 ttt180 -61.05 -45.21 95.67 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 40.1 t -56.23 -44.21 79.38 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.62 -41.61 97.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.696 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.511 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -57.37 -47.78 80.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.489 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 22.0 m-85 -59.29 -42.41 91.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.523 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.55 89.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.722 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.59 90.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.6 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -62.02 -44.73 96.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.41 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -55.16 -42.94 73.76 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -60.15 -41.07 91.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.939 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.1 93.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.788 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . 0.5 ' NZ ' ' OE2' ' B' ' 96' ' ' GLU . 68.0 mttm -61.28 -30.07 70.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.064 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -80.11 -4.01 51.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.467 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.24 13.2 79.42 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -95.73 81.25 3.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.758 0.313 . . . . 0.0 110.202 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -64.98 -34.48 78.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.578 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.95 81.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.018 0.437 . . . . 0.0 110.695 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.8 -35.82 81.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.344 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.25 -48.23 79.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.515 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -60.42 -44.17 96.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.634 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.88 99.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.813 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 90.8 mmm -65.56 -42.19 92.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.586 ' SD ' HD12 ' C' ' 95' ' ' ILE . 74.2 mtm -64.02 -41.26 97.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.606 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.09 -45.64 92.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.396 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -63.76 -41.72 97.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.288 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 62.7 m -60.27 -45.77 92.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.531 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.71 -42.33 97.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.364 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -60.61 -43.54 97.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.282 0.563 . . . . 0.0 110.563 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.51 99.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.313 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.517 HD12 ' HE ' ' C' ' 88' ' ' ARG . 89.2 mt -65.28 -40.59 94.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.721 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -60.95 -41.29 96.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.347 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -65.41 -40.31 93.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.033 0.444 . . . . 0.0 110.028 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.428 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.28 -43.9 85.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.486 179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.05 -38.15 90.05 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.261 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 36.5 mt -61.11 -43.78 98.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.286 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 66.2 t -65.14 -44.27 95.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.062 0.458 . . . . 0.0 110.016 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.435 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 67.4 tp60 -60.67 -43.65 97.42 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.188 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.596 HG21 HG22 ' D' ' 356' ' ' THR . 19.6 m -59.57 -41.98 91.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 110.136 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.32 -34.12 73.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.912 0.387 . . . . 0.0 110.526 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' C' ' 62' ' ' ASP . 90.3 mt -71.84 -59.97 2.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.819 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.4 ' CG1' HD22 ' C' ' 74' ' ' LEU . 69.1 mt -56.34 -36.88 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.825 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.603 ' OE2' ' NE2' ' D' ' 351' ' ' GLN . 70.1 mm-40 -74.07 -31.09 62.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.43 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.06 -10.59 61.0 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' C' ' 58' ' ' LEU . 97.3 m-20 -93.13 -25.05 18.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.894 0.378 . . . . 0.0 110.5 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . 0.588 ' O ' HG22 ' D' ' 352' ' ' THR . . . -77.54 91.19 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.465 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.44 176.02 41.31 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . 0.549 ' OE2' ' NZ ' ' D' ' 349' ' ' LYS . 97.7 mt-10 -70.16 117.15 11.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.784 0.326 . . . . 0.0 110.622 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.91 -0.3 83.11 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -103.02 147.37 27.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.617 0.246 . . . . 0.0 110.592 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 98.2 mmm -76.51 140.05 41.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.624 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -88.58 -4.23 58.63 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -100.11 115.63 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.702 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.647 ' O ' HG23 ' C' ' 75' ' ' VAL . 14.2 p -128.3 166.5 18.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.562 -179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.38 -44.53 97.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.666 -177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.576 HG13 HG21 ' C' ' 8' ' ' VAL . 61.2 t -64.77 -47.33 89.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 130.068 3.347 . . . . 0.0 110.641 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . 0.4 HD22 ' CG1' ' C' ' 59' ' ' ILE . 96.3 mt -65.65 -40.2 92.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.027 0.441 . . . . 0.0 110.94 177.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.647 HG23 ' O ' ' C' ' 71' ' ' SER . 55.7 t -59.97 -47.87 90.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.2 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -59.43 -44.73 92.83 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.329 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.435 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -65.24 -43.18 92.21 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.92 0.39 . . . . 0.0 110.474 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.79 -41.49 97.93 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.272 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.492 ' O ' HG23 ' C' ' 83' ' ' THR . 46.0 tp -57.58 -46.24 84.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.46 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -66.58 -47.17 73.61 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.737 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.59 -45.47 93.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.809 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.6 mmm -62.37 -43.24 99.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.31 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.492 HG23 ' O ' ' C' ' 79' ' ' LEU . 21.7 p -64.54 -46.79 81.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.166 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.76 -49.13 76.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.539 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 66.0 ttp -57.83 -47.86 81.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.632 0.253 . . . . 0.0 110.499 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.93 -45.63 92.86 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.18 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.22 -47.61 84.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.946 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.517 ' HE ' HD12 ' C' ' 48' ' ' LEU . 8.9 tmm_? -57.76 -45.87 85.32 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.221 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.51 -43.56 98.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.199 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.5 -42.74 95.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.471 . . . . 0.0 109.981 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.511 HD12 ' HB1' ' C' ' 22' ' ' ALA . 77.9 mt -60.43 -42.33 90.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.384 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 91.0 m -57.54 -45.92 84.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.09 0.471 . . . . 0.0 109.966 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -62.93 -43.43 98.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.457 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.553 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 81.6 mt -59.42 -43.42 93.05 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . 0.586 HD12 ' SD ' ' C' ' 41' ' ' MET . 90.0 mt -62.01 -42.94 96.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.557 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -61.04 -39.3 89.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.076 0.465 . . . . 0.0 109.765 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.46 -41.53 97.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.88 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.553 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.4 m80 -59.54 -38.11 80.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.705 179.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' C' ' 102' ' ' LYS . 81.4 tt0 -62.49 -40.46 96.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.133 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -64.42 -39.0 92.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.189 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 40.3 mt -63.89 -41.91 97.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.367 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . 0.471 ' O ' ' O ' ' C' ' 99' ' ' GLU . 64.4 mttp -92.46 141.9 28.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.513 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.493 -179.873 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.532 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 121.886 0.85 . . . . 0.0 108.978 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.453 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.76 143.07 36.78 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.486 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -153.04 156.33 38.55 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 120.96 -1.087 . . . . 0.0 109.531 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.1 mm-40 -152.22 149.14 28.4 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.21 152.35 18.92 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.001 -1.062 . . . . 0.0 108.371 178.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.88 144.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.76 136.55 37.15 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 122.202 1.001 . . . . 0.0 110.082 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 51.1 mt -84.83 114.25 24.76 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 105.379 -2.082 . . . . 0.0 105.379 177.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.7 p -106.87 -4.3 19.36 Favored 'General case' 0 C--N 1.265 -3.104 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.794 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.45 141.88 86.02 Favored Pre-proline 0 N--CA 1.5 2.037 0 O-C-N 119.65 -1.906 . . . . 0.0 110.628 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.56 -47.67 13.03 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 124.759 3.639 . . . . 0.0 114.188 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.548 HD21 ' CD2' ' D' ' 315' ' ' HIS . 22.7 p30 -102.15 27.54 6.57 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 116.048 -2.261 . . . . 0.0 108.754 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.16 -145.61 44.0 Favored Glycine 0 N--CA 1.496 2.67 0 C-N-CA 117.677 -2.202 . . . . 0.0 109.605 -179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.0 tp -88.42 79.7 7.63 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.932 -1.334 . . . . 0.0 109.562 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.548 ' CD2' HD21 ' D' ' 312' ' ' ASN . 2.7 p80 -76.32 177.32 7.38 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 117.834 -1.547 . . . . 0.0 112.118 -178.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . . . . . . . . . 77.7 p -36.32 -69.43 0.11 Allowed 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 117.291 2.33 . . . . 0.0 117.291 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' D' ' 318' ' ' PRO . 6.9 tmm_? -56.49 -52.32 74.2 Favored Pre-proline 0 N--CA 1.493 1.69 0 C-N-CA 120.071 -0.651 . . . . 0.0 112.542 -176.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 21.1 Cg_endo -64.21 -32.17 62.99 Favored 'Trans proline' 0 C--N 1.318 -1.066 0 CA-C-N 119.503 0.858 . . . . 0.0 111.557 -178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.501 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.05 -38.76 86.39 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 119.455 -0.898 . . . . 0.0 109.481 -179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . . . . . . . . . . . -70.91 -39.74 72.56 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.97 -39.36 93.96 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 118.003 -1.479 . . . . 0.0 109.485 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.438 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.3 t80 -62.71 -45.3 93.36 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 122.63 1.205 . . . . 0.0 108.705 -177.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.501 HG23 ' O ' ' D' ' 319' ' ' ALA . 61.7 t -62.68 -42.18 95.1 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.27 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.668 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.86 -40.24 96.08 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.311 -0.868 . . . . 0.0 109.819 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.53 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.7 tt0 -68.8 -39.72 79.95 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.418 -0.801 . . . . 0.0 109.571 177.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.93 92.05 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.611 -1.306 . . . . 0.0 109.463 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.27 -16.29 44.0 Favored 'General case' 0 N--CA 1.511 2.595 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.89 -10.58 86.07 Favored Glycine 0 N--CA 1.479 1.505 0 O-C-N 119.91 -1.744 . . . . 0.0 109.317 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.407 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.4 32.76 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.377 -1.66 . . . . 0.0 110.034 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 49.3 p -75.59 -30.14 59.52 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.188 -0.945 . . . . 0.0 112.316 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.9 m -59.76 158.5 10.26 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 119.772 -1.83 . . . . 0.0 112.836 -179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.582 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.88 130.21 35.4 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 102.87 -3.011 . . . . 0.0 102.87 171.228 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.69 136.6 60.33 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.389 0 CA-C-O 122.171 0.986 . . . . 0.0 109.358 -178.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.9 143.21 50.97 Favored 'General case' 0 C--N 1.284 -2.239 0 CA-C-O 123.027 1.394 . . . . 0.0 110.013 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' D' ' 344' ' ' ALA . 85.7 t -108.17 129.94 61.58 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.762 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 173.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.7 m -127.46 119.58 26.43 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 120.858 -1.151 . . . . 0.0 108.927 -178.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.7 t -122.59 122.61 39.27 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.847 177.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.77 38.98 24.53 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.88 -1.138 . . . . 0.0 112.698 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.58 11.05 83.58 Favored Glycine 0 N--CA 1.501 3.012 0 O-C-N 119.963 -1.711 . . . . 0.0 112.558 177.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.85 136.26 54.56 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 177.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.72 158.57 32.92 Favored 'General case' 0 C--N 1.276 -2.619 0 CA-C-O 123.751 1.739 . . . . 0.0 112.449 -176.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.77 151.41 31.34 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 112.512 -2.131 . . . . 0.0 108.566 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.0 t -70.6 136.0 48.88 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 173.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.442 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.0 -6.84 48.14 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.656 -1.277 . . . . 0.0 110.704 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.45 12.93 31.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.591 -1.318 . . . . 0.0 109.361 -177.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 34.9 t -133.01 104.18 6.41 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 122.16 0.981 . . . . 0.0 110.153 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.593 HD21 ' NZ ' ' C' ' 69' ' ' LYS . 58.2 tp -57.29 -37.84 73.05 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.967 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -58.94 -51.42 70.13 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.603 -1.311 . . . . 0.0 113.02 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -69.99 -32.42 70.61 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 119.543 -1.973 . . . . 0.0 109.239 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.6 mt -62.82 -33.72 75.81 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 118.926 -1.11 . . . . 0.0 109.982 -177.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.475 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 59.9 tt0 -67.7 -10.44 52.38 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 121.598 -0.688 . . . . 0.0 109.893 -177.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . . . . . . . . . 39.6 p -89.76 -7.69 53.89 Favored 'General case' 0 N--CA 1.502 2.129 0 C-N-CA 118.097 -1.441 . . . . 0.0 110.973 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.44 159.3 15.3 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.204 -0.935 . . . . 0.0 110.132 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.77 2.96 Favored Glycine 0 N--CA 1.484 1.881 0 N-CA-C 107.003 -2.439 . . . . 0.0 107.003 177.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.0 mt -119.56 47.51 1.7 Allowed 'General case' 0 C--N 1.309 -1.154 0 O-C-N 120.657 -1.496 . . . . 0.0 107.421 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 57.9 p -81.56 172.45 13.45 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.174 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -60.61 140.91 57.22 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 119.294 -0.962 . . . . 0.0 109.889 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.45 -3.25 78.95 Favored Glycine 0 N--CA 1.501 3.028 0 C-N-CA 119.97 -1.109 . . . . 0.0 111.34 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.2 m -84.43 135.93 34.06 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.894 -1.356 . . . . 0.0 110.665 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 90.3 t -96.53 123.7 48.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.496 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.19 160.11 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.325 0 C-N-CA 117.429 -1.708 . . . . 0.0 110.634 178.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.413 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.3 m -108.95 128.44 54.94 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.536 -1.353 . . . . 0.0 107.587 175.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.1 mt -107.9 121.47 60.9 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 176.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.409 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.63 147.27 50.72 Favored 'General case' 0 C--N 1.285 -2.215 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.75 153.43 47.17 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 118.498 -1.281 . . . . 0.0 109.784 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.532 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.87 6.46 Favored 'General case' 0 C--N 1.289 -2.037 0 C-N-CA 118.541 -1.264 . . . . 0.0 108.001 178.183 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.17 -170.32 40.11 Favored Glycine 0 C--N 1.296 -1.679 0 C-N-CA 118.049 -2.025 . . . . 0.0 110.341 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.37 -40.57 82.62 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 114.369 -0.916 . . . . 0.0 112.186 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -114.1 36.8 3.55 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 115.902 -2.319 . . . . 0.0 108.59 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.54 65.86 Favored 'General case' 0 N--CA 1.521 3.105 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 -174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.461 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.85 -45.6 27.8 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 119.63 -1.919 . . . . 0.0 111.016 -176.626 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.857 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.62 -40.6 97.32 Favored 'General case' 0 C--N 1.284 -2.243 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.22 -49.48 77.68 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 117.412 -1.715 . . . . 0.0 110.01 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.7 t -66.84 -42.22 88.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 CA-C-O 122.231 1.015 . . . . 0.0 109.244 -178.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.8 -47.98 76.18 Favored 'General case' 0 C--N 1.286 -2.169 0 CA-C-O 122.042 0.925 . . . . 0.0 108.751 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.857 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.73 -38.42 76.87 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.705 -178.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.3 mt -75.59 -28.6 59.0 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.372 -1.455 . . . . 0.0 110.872 -174.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.43 -39.52 71.46 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.91 -49.2 63.29 Favored 'General case' 0 C--N 1.292 -1.901 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.34 -45.19 84.55 Favored 'General case' 0 N--CA 1.493 1.723 0 C-N-CA 119.024 -1.071 . . . . 0.0 110.486 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.496 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.39 -37.38 85.54 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.886 -1.134 . . . . 0.0 111.529 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.81 61.7 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.055 -1.028 . . . . 0.0 110.323 -179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.88 -32.33 45.84 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.479 -0.763 . . . . 0.0 111.325 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' D' ' 384' ' ' LEU . 0.0 OUTLIER -50.12 125.54 12.5 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-O 124.331 2.015 . . . . 0.0 112.845 178.708 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.794 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 97.0 mt-10 . . . . . 0 C--N 1.277 -2.554 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.104 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.46 ' OE1' ' OE1' ' A' ' 6' ' ' GLU . 79.4 mm-40 -63.17 138.55 58.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.551 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 6' ' ' GLU . 79.7 mm-40 -60.74 129.56 42.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.458 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 8' ' ' VAL . 97.2 mt -38.37 -34.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.462 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -64.53 -47.47 78.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 0.0 110.265 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 3' ' ' GLU . 80.7 tt0 -66.97 -36.76 82.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.262 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.525 HG11 HD11 ' A' ' 58' ' ' LEU . 71.5 t -64.28 -42.28 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.405 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.606 HG21 HG13 ' A' ' 73' ' ' VAL . 66.6 t -60.85 -45.65 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.965 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.4 mtp -58.5 -42.36 87.47 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.31 -42.62 97.71 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.343 -1.103 . . . . 0.0 110.343 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.0 mt -63.12 -43.27 98.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.37 . . . . 0.0 110.24 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.418 ' O ' ' OG ' ' A' ' 15' ' ' SER . 92.6 mt -63.1 -44.84 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.754 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.06 -44.03 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.992 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.569 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 53.0 t-20 -60.49 -45.89 92.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.848 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 12' ' ' ILE . 78.9 p -59.96 -43.97 94.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.943 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.54 -41.84 99.07 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.501 ' O ' ' OG ' ' A' ' 20' ' ' SER . 92.9 mm-40 -62.7 -43.27 99.22 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.562 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.75 -48.64 80.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.824 179.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -61.06 -46.49 90.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.501 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.3 p -56.28 -43.29 78.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.5 mt -62.04 -41.56 98.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.654 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -57.03 -48.14 79.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -60.11 -41.51 92.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.673 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.76 97.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.755 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.03 -44.33 87.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.677 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.14 -44.89 96.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.474 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -55.35 -42.83 74.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -60.6 -41.47 94.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.781 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.68 94.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.727 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.61 -29.22 69.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.134 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -80.02 -4.34 52.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.02 12.56 76.55 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.01 80.05 3.28 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 120.75 0.31 . . . . 0.0 110.3 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -64.49 -34.84 79.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.645 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -47.73 81.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.051 0.453 . . . . 0.0 110.692 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.92 -35.45 80.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.383 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.32 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.534 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.24 -43.62 98.59 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.629 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.39 99.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.83 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.32 -41.02 94.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.47 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.44 ' O ' ' OG ' ' A' ' 44' ' ' SER . 4.8 mmt -62.69 -41.07 98.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.56 -43.85 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.975 0.417 . . . . 0.0 110.531 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.77 -41.5 97.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.24 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.4 p -61.27 -45.74 93.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.566 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -60.92 -42.61 98.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.329 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.7 mmm -61.79 -43.08 99.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.223 0.535 . . . . 0.0 110.51 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.61 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.272 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.681 HD12 ' HE ' ' A' ' 88' ' ' ARG . 91.0 mt -65.57 -40.03 92.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.68 179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -61.07 -41.98 97.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.252 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -65.47 -39.71 92.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.266 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . -66.8 -43.46 83.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.51 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -64.26 -37.36 87.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.367 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.74 -43.1 99.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.304 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.16 -43.01 97.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.052 0.453 . . . . 0.0 110.001 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.467 ' OE1' ' HB1' ' A' ' 77' ' ' ALA . 67.2 tp60 -61.16 -41.12 96.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.186 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 78.4 m -56.51 -44.5 80.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.953 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.7 -39.68 94.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.527 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.525 HD11 HG11 ' A' ' 7' ' ' VAL . 93.7 mt -65.28 -30.7 71.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.719 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.87 -33.8 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.84 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -82.17 -8.95 59.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.527 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.74 165.85 36.56 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.85 139.16 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 110.556 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.76 140.5 53.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.535 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.74 -177.59 52.02 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -69.67 118.44 12.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.81 0.338 . . . . 0.0 110.685 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.69 -3.94 78.72 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.43 136.53 38.44 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.701 0.286 . . . . 0.0 110.492 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtt -99.78 -94.52 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.568 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -108.98 -30.41 8.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.914 0.388 . . . . 0.0 110.912 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 p -128.43 150.2 33.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.72 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.509 ' O ' HG23 ' A' ' 75' ' ' VAL . 86.2 p -129.48 163.71 25.29 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 72' ' ' LEU . 36.9 mt -57.51 -44.39 85.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.667 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.606 HG13 HG21 ' A' ' 8' ' ' VAL . 55.3 t -63.0 -46.95 95.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.551 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.82 -40.89 98.8 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 71' ' ' SER . 53.0 t -60.19 -47.56 91.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.235 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -58.79 -47.1 85.93 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.302 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.467 ' HB1' ' OE1' ' A' ' 55' ' ' GLN . . . -64.02 -43.19 96.37 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.529 HE22 ' CE1' ' B' ' 80' ' ' HIS . 58.8 tt0 -63.18 -41.64 99.24 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.106 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 83' ' ' THR . 41.6 tp -57.0 -47.02 81.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.34 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -66.84 -46.92 73.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.755 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.1 mt -62.65 -45.29 93.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.83 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -62.0 -44.6 96.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.195 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.4 p -63.46 -46.55 85.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.12 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.75 -48.0 81.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.421 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -59.03 -48.88 80.01 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.512 -179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.5 tp -61.4 -45.22 95.24 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.098 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.08 83.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.871 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.681 ' HE ' HD12 ' A' ' 48' ' ' LEU . 7.9 tmm_? -58.96 -45.05 91.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.134 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.12 -46.69 87.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.109 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 90' ' ' LEU . 95.7 mt -64.93 -42.68 94.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.126 0.488 . . . . 0.0 109.883 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.498 HD13 ' HB1' ' A' ' 22' ' ' ALA . 67.4 mt -60.21 -42.07 89.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.23 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 19.7 m -57.86 -45.22 86.62 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.047 0.451 . . . . 0.0 109.854 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.32 -42.19 99.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.631 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.536 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 14.5 mt -59.98 -42.83 95.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.33 -42.97 95.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.495 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.47 -38.85 85.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.488 HD21 ' NE2' ' B' ' 98' ' ' HIS . 39.7 mt -62.42 -40.76 97.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.875 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.536 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 71.8 m80 -59.42 -41.09 88.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -58.8 -40.47 84.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.183 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.9 -33.67 75.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.194 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.27 -8.28 59.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.6 tttp 72.24 15.28 5.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.514 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.87 -1.062 . . . . 0.0 110.547 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.461 ' OE1' ' OE1' ' B' ' 6' ' ' GLU . 79.5 mm-40 -63.52 138.2 58.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.602 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' B' ' 6' ' ' GLU . 79.4 mm-40 -60.13 129.54 42.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.499 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.605 ' O ' HG23 ' B' ' 8' ' ' VAL . 97.0 mt -38.19 -34.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.517 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -64.46 -47.35 79.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.414 . . . . 0.0 110.385 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' B' ' 3' ' ' GLU . 81.3 tt0 -67.03 -36.8 82.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.211 179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.512 HG11 HD11 ' B' ' 58' ' ' LEU . 70.2 t -64.24 -42.57 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.318 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 4' ' ' LEU . 67.7 t -60.58 -45.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.88 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 90.8 mtp -58.94 -42.15 89.11 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.57 -42.65 97.31 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.175 -1.17 . . . . 0.0 110.175 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' B' ' 11' ' ' LEU . 36.9 mt -63.0 -43.28 99.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.771 0.32 . . . . 0.0 110.312 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.29 -44.93 99.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.661 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 90.4 mt -62.78 -44.31 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.905 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . 0.571 ' ND2' ' HB2' ' B' ' 51' ' ' ALA . 53.1 t-20 -60.35 -45.86 91.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.799 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 78.0 p -59.88 -44.29 94.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.06 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.34 -41.65 99.4 Favored Glycine 0 CA--C 1.521 0.41 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.441 ' O ' ' OG ' ' B' ' 20' ' ' SER . 92.9 mm-40 -62.78 -43.41 98.86 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.552 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.7 -48.23 81.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.942 179.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -61.14 -46.51 90.24 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 78.2 p -56.52 -43.01 79.38 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.12 -41.76 98.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.693 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -56.96 -48.23 78.86 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -60.16 -41.35 92.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.7 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.07 96.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.667 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.01 -44.04 87.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.627 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.21 -45.32 95.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.345 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -55.18 -42.73 73.57 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.51 -41.82 95.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.906 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.97 93.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.742 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.31 -29.62 69.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.071 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.91 -4.49 52.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.432 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.44 12.11 76.36 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -95.82 79.99 3.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.86 0.362 . . . . 0.0 110.336 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -64.43 -34.93 79.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.623 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.28 80.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 110.798 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.28 80.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.39 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.38 -48.17 79.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.596 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.33 -43.62 98.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.51 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.29 99.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.7 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.37 -41.31 93.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.507 179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.443 ' O ' ' OG ' ' B' ' 44' ' ' SER . 4.8 mmt -62.32 -41.4 98.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.629 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.45 -44.0 97.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.42 -41.59 98.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.28 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.3 p -61.36 -46.06 91.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.412 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -60.52 -42.57 96.73 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.316 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.85 -43.07 99.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.331 0.586 . . . . 0.0 110.646 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.28 98.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.151 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.669 HD12 ' HE ' ' B' ' 88' ' ' ARG . 90.2 mt -65.82 -40.25 91.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.736 179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -61.03 -41.87 97.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.295 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -65.4 -40.04 92.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.17 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.571 ' HB2' ' ND2' ' B' ' 14' ' ' ASN . . . -66.7 -43.19 85.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.482 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -64.37 -37.64 88.23 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.247 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 53' ' ' LEU . 38.2 mt -61.41 -43.43 98.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.351 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.86 -43.46 97.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.043 0.449 . . . . 0.0 109.972 179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.473 ' OE1' ' HB1' ' B' ' 77' ' ' ALA . 67.5 tp60 -60.52 -41.32 94.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.312 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 70.7 m -56.66 -44.26 81.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.926 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.85 -39.55 94.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.881 0.372 . . . . 0.0 110.536 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.512 HD11 HG11 ' B' ' 7' ' ' VAL . 93.8 mt -65.3 -30.8 71.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.677 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.69 -33.83 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.8 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -82.33 -8.76 59.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.521 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.65 165.38 36.96 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.67 138.63 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.525 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.3 141.04 54.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.42 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.11 -177.82 52.07 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -69.52 118.44 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 110.56 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.94 -4.28 78.21 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -97.88 137.73 36.29 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.617 0.246 . . . . 0.0 110.506 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtt -101.09 -94.07 0.28 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.694 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -109.25 -30.3 8.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.971 0.415 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 p -129.0 149.71 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.786 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.537 ' O ' HG23 ' B' ' 75' ' ' VAL . 91.0 p -128.99 165.14 21.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.587 -178.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.74 -44.05 93.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.592 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.586 HG13 HG21 ' B' ' 8' ' ' VAL . 52.2 t -62.31 -46.26 96.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.545 -178.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.14 -40.36 97.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 71' ' ' SER . 59.7 t -60.44 -48.31 88.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.25 -179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.32 -46.86 85.38 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.325 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.473 ' HB1' ' OE1' ' B' ' 55' ' ' GLN . . . -64.21 -42.87 96.42 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.87 0.367 . . . . 0.0 110.439 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.535 HE22 ' CE1' ' C' ' 80' ' ' HIS . 59.0 tt0 -63.45 -41.74 98.64 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.29 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.452 ' O ' HG23 ' B' ' 83' ' ' THR . 42.3 tp -56.97 -46.86 81.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.402 -179.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.529 ' CE1' HE22 ' A' ' 78' ' ' GLN . 75.6 m80 -66.9 -47.07 72.93 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.751 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.74 -45.17 93.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 88.8 mmm -62.04 -44.6 96.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.268 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.452 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.6 p -63.2 -46.36 87.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.169 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -62.81 -48.34 79.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.592 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.2 ttp -58.81 -48.92 79.62 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.511 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.29 -45.64 93.63 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.168 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.36 81.92 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.874 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.669 ' HE ' HD12 ' B' ' 48' ' ' LEU . 8.0 tmm_? -58.55 -45.48 88.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.282 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.67 -46.44 89.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.169 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' B' ' 90' ' ' LEU . 94.2 mt -65.35 -42.2 93.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.169 0.509 . . . . 0.0 110.065 -179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.498 HD13 ' HB1' ' B' ' 22' ' ' ALA . 67.5 mt -60.79 -41.97 90.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.221 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 19.4 m -57.7 -45.71 85.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.068 0.461 . . . . 0.0 109.901 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.83 -42.23 98.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.534 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.538 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 15.0 mt -60.06 -42.83 95.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.32 -42.95 95.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.504 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.36 -39.1 86.0 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.486 HD21 ' NE2' ' C' ' 98' ' ' HIS . 39.3 mt -62.32 -40.75 97.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.823 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.9 m80 -59.34 -41.28 88.81 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.54 -40.59 83.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.042 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.02 -33.47 75.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.188 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.404 HD21 HD21 ' C' ' 101' ' ' LEU . 50.0 mt -82.23 -8.42 59.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.398 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 38.8 tttp 72.42 14.59 5.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.555 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.4 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.562 179.938 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . 0.473 ' OE1' ' OE1' ' C' ' 6' ' ' GLU . 79.6 mm-40 -63.96 138.19 58.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.637 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' C' ' 6' ' ' GLU . 79.3 mm-40 -59.87 129.71 43.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.388 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.611 ' O ' HG23 ' C' ' 8' ' ' VAL . 98.0 mt -38.43 -35.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.432 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -64.2 -47.79 78.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.347 . . . . 0.0 110.332 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.473 ' OE1' ' OE1' ' C' ' 2' ' ' GLU . 81.4 tt0 -66.71 -36.79 83.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.33 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.516 HG11 HD11 ' C' ' 58' ' ' LEU . 71.8 t -64.07 -42.42 95.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.296 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.611 HG23 ' O ' ' C' ' 4' ' ' LEU . 68.5 t -60.93 -45.26 98.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.987 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 90.9 mtp -58.96 -42.1 89.07 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.53 -42.5 97.43 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.179 -1.168 . . . . 0.0 110.179 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' C' ' 11' ' ' LEU . 36.9 mt -63.25 -43.21 98.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.391 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.407 ' O ' ' OG ' ' C' ' 15' ' ' SER . 93.2 mt -63.34 -44.56 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.742 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.81 -44.49 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.011 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . 0.578 ' ND2' ' HB2' ' C' ' 51' ' ' ALA . 52.8 t-20 -60.42 -45.8 92.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.853 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' C' ' 12' ' ' ILE . 78.7 p -59.79 -44.0 94.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.195 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.59 -41.72 99.05 Favored Glycine 0 CA--C 1.52 0.356 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.456 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.1 mm-40 -62.89 -42.81 99.91 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.557 ' CB ' HD21 ' C' ' 48' ' ' LEU . . . -59.5 -48.04 83.19 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -61.51 -46.45 89.92 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.5 p -56.24 -43.42 78.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 74.3 mt -61.99 -41.52 98.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.685 178.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.477 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -57.11 -48.14 79.36 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -60.16 -41.53 92.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.557 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.76 97.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.67 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -43.84 87.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.584 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.64 -44.82 96.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.425 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -55.7 -42.34 75.09 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -60.93 -41.46 96.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.88 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.74 94.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.833 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.64 -29.36 70.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.009 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -79.91 -4.58 52.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.447 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.33 12.87 75.01 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -96.28 79.93 3.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.73 0.3 . . . . 0.0 110.298 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -64.48 -34.93 79.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.556 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.72 -48.24 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.091 0.472 . . . . 0.0 110.634 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.06 82.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.378 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.93 -48.12 80.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.53 -43.53 98.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.607 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.36 99.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.699 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.6 mmm -65.45 -41.27 93.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.523 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.419 ' O ' ' OG ' ' C' ' 44' ' ' SER . 4.8 mmt -62.3 -41.3 98.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.614 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.51 -44.06 97.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.479 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.22 -41.85 99.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.341 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.8 p -61.14 -46.07 92.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.5 -42.6 96.67 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.318 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 88.4 mmm -61.88 -42.95 99.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.298 0.571 . . . . 0.0 110.556 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.65 99.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.327 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.683 HD12 ' HE ' ' C' ' 88' ' ' ARG . 91.1 mt -65.67 -40.45 92.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . 0.4 ' C ' ' OD1' ' C' ' 49' ' ' ASN . 52.6 t-20 -60.86 -42.11 97.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.97 -40.31 94.79 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.03 0.443 . . . . 0.0 110.06 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . 0.578 ' HB2' ' ND2' ' C' ' 14' ' ' ASN . . . -66.45 -43.77 84.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.456 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' D' ' 312' ' ' ASN . 12.8 t-80 -63.96 -37.45 87.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.28 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' C' ' 53' ' ' LEU . 37.4 mt -61.76 -43.14 99.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.329 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.83 -43.47 97.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.077 0.465 . . . . 0.0 109.981 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.474 ' OE1' ' HB1' ' C' ' 77' ' ' ALA . 66.8 tp60 -60.75 -41.12 94.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.326 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 78.1 m -56.6 -44.29 80.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.104 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.89 -39.4 94.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.502 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.516 HD11 HG11 ' C' ' 7' ' ' VAL . 94.5 mt -65.41 -30.54 71.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.755 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.5 mt -84.98 -33.71 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.835 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.475 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.1 mm-40 -82.31 -8.93 59.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.472 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.51 165.81 35.7 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.8 138.72 58.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.835 0.35 . . . . 0.0 110.513 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.34 140.74 54.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.477 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.01 -177.97 52.18 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -69.26 118.78 12.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.737 0.303 . . . . 0.0 110.611 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.36 -3.99 79.93 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -98.21 137.55 36.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.653 0.263 . . . . 0.0 110.546 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 65.6 mtt -101.22 -93.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.553 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.593 ' NZ ' HD21 ' D' ' 347' ' ' LEU . 88.5 tttt -109.58 -30.47 7.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 p -128.71 149.09 33.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.759 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.544 ' O ' HG23 ' C' ' 75' ' ' VAL . 92.8 p -127.4 167.63 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.557 -178.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' C' ' 72' ' ' LEU . 20.9 mt -61.71 -43.1 99.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.658 -177.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.516 HG13 HG21 ' C' ' 8' ' ' VAL . 49.7 t -63.6 -46.41 94.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 130.069 3.348 . . . . 0.0 110.597 -178.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.47 -40.06 92.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.077 0.465 . . . . 0.0 110.977 177.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.544 HG23 ' O ' ' C' ' 71' ' ' SER . 58.9 t -60.58 -48.47 88.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.239 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -58.67 -47.0 85.97 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.34 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . 0.474 ' HB1' ' OE1' ' C' ' 55' ' ' GLN . . . -64.29 -42.93 96.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.835 0.35 . . . . 0.0 110.362 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -63.47 -41.09 98.6 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.266 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.442 ' O ' HG23 ' C' ' 83' ' ' THR . 42.4 tp -57.69 -46.76 83.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.513 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . 0.535 ' CE1' HE22 ' B' ' 78' ' ' GLN . 75.5 m80 -66.93 -47.0 73.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.646 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.84 -45.25 93.47 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.85 -178.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 88.7 mmm -61.83 -44.4 96.92 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.432 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.442 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.5 p -63.6 -46.56 85.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.208 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 79.3 p -62.61 -48.0 81.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.588 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.5 ttp -58.86 -49.23 78.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.479 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.27 -45.23 95.36 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.155 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.71 -48.15 82.82 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.975 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.683 ' HE ' HD12 ' C' ' 48' ' ' LEU . 8.0 tmm_? -58.71 -45.48 89.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.221 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.46 -46.61 89.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.201 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.34 -42.34 93.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.155 0.502 . . . . 0.0 110.013 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.477 HD13 ' HB1' ' C' ' 22' ' ' ALA . 67.8 mt -60.44 -42.13 89.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.378 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 19.6 m -57.71 -45.55 85.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.081 0.467 . . . . 0.0 110.028 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.99 -42.26 98.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.472 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.533 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 14.8 mt -59.97 -42.87 95.07 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.28 -42.85 95.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.545 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -60.3 -39.23 86.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.717 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.06 -40.79 96.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.926 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 72.1 m80 -59.5 -41.31 89.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.695 179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -58.72 -40.13 82.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.027 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.3 -33.33 75.29 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.173 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . 0.404 HD21 HD21 ' B' ' 101' ' ' LEU . 48.7 mt -82.42 -9.14 59.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.236 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 38.9 tttp 73.39 14.47 4.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.428 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.543 179.917 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.534 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.5 ttm . . . . . 0 N--CA 1.472 0.646 0 CA-C-O 121.852 0.834 . . . . 0.0 109.03 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.7 t80 -139.75 142.97 36.75 Favored 'General case' 0 C--N 1.287 -2.151 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.474 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.96 156.31 38.64 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.046 -1.034 . . . . 0.0 109.643 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.18 149.21 28.5 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.27 152.32 18.99 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.076 -1.015 . . . . 0.0 108.332 178.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.82 144.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 84.9 m -96.71 136.56 37.08 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 122.113 0.958 . . . . 0.0 110.138 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.9 mt -84.86 114.28 24.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 N-CA-C 105.426 -2.064 . . . . 0.0 105.426 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.6 p -106.84 -4.34 19.37 Favored 'General case' 0 C--N 1.264 -3.116 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.803 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.51 141.84 85.83 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 119.65 -1.906 . . . . 0.0 110.628 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -45.58 -47.59 13.18 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 124.783 3.656 . . . . 0.0 114.121 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . 0.58 HD21 ' CE ' ' C' ' 85' ' ' MET . 98.6 m-20 -102.12 27.45 6.63 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 116.178 -2.209 . . . . 0.0 108.787 179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 59.39 -142.53 46.81 Favored Glycine 0 N--CA 1.497 2.722 0 C-N-CA 117.671 -2.204 . . . . 0.0 109.591 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . . . . . . . . . 13.9 tp -88.77 75.84 8.1 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.952 -1.323 . . . . 0.0 109.495 -177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.621 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.8 p80 -69.8 176.31 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 117.861 -1.536 . . . . 0.0 112.133 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.543 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.4 p -39.47 -67.19 0.23 Allowed 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 117.196 2.295 . . . . 0.0 117.196 -177.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.543 ' N ' ' OG1' ' D' ' 316' ' ' THR . 7.8 tmm_? -57.24 -51.61 80.43 Favored Pre-proline 0 N--CA 1.493 1.692 0 C-N-CA 120.176 -0.61 . . . . 0.0 112.494 -177.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.9 Cg_endo -64.27 -32.19 62.3 Favored 'Trans proline' 0 C--N 1.317 -1.104 0 C-N-CA 120.568 0.845 . . . . 0.0 111.477 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.488 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -67.01 -38.83 86.67 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.252 -0.905 . . . . 0.0 109.489 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.474 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -70.87 -39.79 72.68 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -63.89 -39.44 94.19 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 117.987 -1.485 . . . . 0.0 109.533 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.5 t80 -62.69 -45.31 93.36 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.526 1.155 . . . . 0.0 108.643 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.488 HG23 ' O ' ' D' ' 319' ' ' ALA . 58.0 t -62.7 -42.25 95.4 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.319 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.611 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . 0.517 ' NZ ' HD12 ' A' ' 13' ' ' ILE . 97.1 mttt -63.88 -40.25 96.1 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.174 -0.954 . . . . 0.0 109.8 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.537 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.76 -39.79 80.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.424 -0.798 . . . . 0.0 109.555 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.0 -44.0 91.6 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.559 -1.338 . . . . 0.0 109.454 178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.27 -16.22 43.27 Favored 'General case' 0 N--CA 1.511 2.576 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.87 -10.67 86.01 Favored Glycine 0 N--CA 1.479 1.502 0 O-C-N 119.838 -1.789 . . . . 0.0 109.299 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.401 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.7 m-85 -103.44 143.37 32.79 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.224 -1.751 . . . . 0.0 109.979 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.6 p -75.61 -30.11 59.45 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.278 -0.889 . . . . 0.0 112.302 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.83 158.51 10.42 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 119.716 -1.865 . . . . 0.0 112.827 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.581 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.81 130.22 35.47 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 102.84 -3.022 . . . . 0.0 102.84 171.251 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.7 mt -126.71 136.59 60.38 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.412 0 CA-C-O 122.23 1.014 . . . . 0.0 109.313 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.7 m -124.9 143.13 51.01 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-O 123.065 1.412 . . . . 0.0 110.024 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.1 t -108.03 129.91 61.42 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.717 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 173.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 69.9 m -127.48 119.58 26.4 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.731 -1.231 . . . . 0.0 108.972 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.54 122.59 39.26 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.495 -0.753 . . . . 0.0 109.918 177.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.71 39.0 24.38 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.888 -1.133 . . . . 0.0 112.823 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.62 11.03 83.57 Favored Glycine 0 N--CA 1.502 3.085 0 O-C-N 119.942 -1.724 . . . . 0.0 112.492 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -119.9 136.21 54.59 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 105.25 -2.13 . . . . 0.0 105.25 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.2 m -124.69 158.53 32.98 Favored 'General case' 0 C--N 1.276 -2.626 0 CA-C-O 123.738 1.732 . . . . 0.0 112.468 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.69 151.4 31.4 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 112.579 -2.101 . . . . 0.0 108.634 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 7.9 t -70.61 136.0 48.85 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 173.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.436 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -73.01 -6.81 47.94 Favored 'General case' 0 C--N 1.296 -1.754 0 O-C-N 120.685 -1.259 . . . . 0.0 110.668 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.49 12.97 31.53 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.665 -1.272 . . . . 0.0 109.381 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 98.8 p -133.1 104.19 6.39 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 122.253 1.025 . . . . 0.0 110.183 -178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.538 HD21 ' NZ ' ' C' ' 69' ' ' LYS . 53.9 tp -57.29 -37.86 73.08 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.934 178.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -58.85 -51.36 70.33 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.56 -1.337 . . . . 0.0 113.117 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.02 -32.5 70.69 Favored 'General case' 0 C--O 1.212 -0.872 0 O-C-N 119.625 -1.922 . . . . 0.0 109.232 -178.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.68 -33.8 75.8 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.974 -177.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.534 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 67.0 tp60 -67.65 -10.47 52.54 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.641 -0.662 . . . . 0.0 109.929 -177.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . 0.461 ' C ' ' OE1' ' C' ' 60' ' ' GLU . 36.1 p -89.8 -7.69 53.79 Favored 'General case' 0 N--CA 1.502 2.157 0 C-N-CA 118.091 -1.444 . . . . 0.0 110.94 -178.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . 0.423 ' O ' ' CD ' ' C' ' 60' ' ' GLU . 97.4 mt -93.36 159.3 15.32 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.227 -0.921 . . . . 0.0 110.159 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.72 104.85 2.97 Favored Glycine 0 N--CA 1.485 1.932 0 N-CA-C 106.9 -2.48 . . . . 0.0 106.9 177.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 86.4 mt -119.62 47.37 1.73 Allowed 'General case' 0 C--N 1.309 -1.177 0 O-C-N 120.708 -1.466 . . . . 0.0 107.425 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . 0.699 HG22 HG21 ' C' ' 56' ' ' THR . 2.7 p -81.37 172.56 13.41 Favored 'General case' 0 N--CA 1.49 1.548 0 C-N-CA 118.785 -1.166 . . . . 0.0 109.226 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -60.75 140.91 57.4 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.28 -0.968 . . . . 0.0 109.9 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.41 -3.04 78.91 Favored Glycine 0 N--CA 1.501 2.995 0 C-N-CA 120.069 -1.063 . . . . 0.0 111.338 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.1 m -84.5 135.92 34.03 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 120.881 -1.364 . . . . 0.0 110.581 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 89.4 t -96.5 123.78 48.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.483 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.6 m -112.23 160.0 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.277 0 C-N-CA 117.422 -1.711 . . . . 0.0 110.693 178.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.431 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.7 m -108.87 128.38 54.86 Favored 'General case' 0 C--O 1.214 -0.816 0 O-C-N 120.55 -1.344 . . . . 0.0 107.594 175.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 33.0 mt -107.89 121.42 60.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 176.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.61 147.24 50.71 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 -179.569 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.73 153.4 47.19 Favored 'General case' 0 C--N 1.293 -1.865 0 C-N-CA 118.557 -1.257 . . . . 0.0 109.82 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.534 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.2 110.73 6.4 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 118.577 -1.249 . . . . 0.0 108.051 178.219 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.26 -170.27 40.15 Favored Glycine 0 C--N 1.296 -1.644 0 C-N-CA 118.018 -2.039 . . . . 0.0 110.357 178.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.37 -40.58 82.69 Favored 'General case' 0 C--N 1.276 -2.63 0 CA-C-N 114.399 -0.901 . . . . 0.0 112.262 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -114.03 36.78 3.54 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 115.853 -2.339 . . . . 0.0 108.612 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -56.39 -33.51 65.82 Favored 'General case' 0 N--CA 1.522 3.128 0 N-CA-C 116.864 2.172 . . . . 0.0 116.864 -174.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.483 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.9 -45.63 27.32 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 119.567 -1.958 . . . . 0.0 110.966 -176.586 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.762 ' NZ ' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.54 -40.68 97.64 Favored 'General case' 0 C--N 1.283 -2.295 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.46 77.79 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 117.449 -1.7 . . . . 0.0 110.038 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 66.4 t -66.89 -42.24 88.71 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-O 122.242 1.02 . . . . 0.0 109.237 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -55.88 -47.91 76.54 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-O 121.992 0.901 . . . . 0.0 108.701 -178.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.762 ' CE1' ' NZ ' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.76 -38.29 76.71 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.769 -178.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.4 mt -75.6 -28.62 58.95 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.346 -1.471 . . . . 0.0 110.865 -174.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.52 -39.45 70.58 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.394 0 N-CA-C 106.306 -1.738 . . . . 0.0 106.306 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.89 -49.19 63.43 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.537 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.5 tp -57.3 -45.22 84.37 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.029 -1.069 . . . . 0.0 110.501 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.483 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.37 -37.39 85.53 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.933 -1.104 . . . . 0.0 111.472 -177.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.84 61.7 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.124 -0.985 . . . . 0.0 110.254 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.9 -32.2 45.65 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.521 -0.737 . . . . 0.0 111.362 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.15 125.51 12.48 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-O 124.354 2.026 . . . . 0.0 112.852 178.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.803 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 79.0 mm-40 . . . . . 0 C--N 1.277 -2.553 0 CA-C-N 111.098 -2.774 . . . . 0.0 110.13 -177.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -57.67 -36.26 71.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.481 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.8 mt-10 -58.58 -76.23 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.414 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.643 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.8 mt -37.91 -38.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.431 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -65.07 -47.22 78.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.882 0.372 . . . . 0.0 110.268 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 3' ' ' GLU . 80.0 tt0 -67.54 -36.8 81.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.265 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 58' ' ' LEU . 82.2 t -64.07 -42.01 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.422 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 4' ' ' LEU . 71.2 t -60.39 -44.47 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.929 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 91.9 mtp -59.49 -41.08 89.01 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.32 -41.69 98.07 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -63.16 -43.05 99.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.879 0.371 . . . . 0.0 110.247 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.3 mt -63.17 -43.99 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.802 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.517 HD12 ' NZ ' ' D' ' 324' ' ' LYS . 86.8 mt -63.48 -44.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.944 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -61.43 -45.68 93.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.722 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -60.38 -43.8 96.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.018 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.37 -42.17 97.8 Favored Glycine 0 CA--C 1.52 0.362 0 N-CA-C 110.093 -1.203 . . . . 0.0 110.093 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.5 ' O ' ' OG ' ' A' ' 20' ' ' SER . 93.7 mm-40 -64.17 -42.81 96.56 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' CB ' HD21 ' A' ' 48' ' ' LEU . . . -58.69 -48.88 79.6 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -61.18 -47.39 86.4 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.5 ' OG ' ' O ' ' A' ' 17' ' ' GLN . 78.8 p -54.32 -44.78 72.32 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.02 -42.66 99.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.706 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.585 ' HB1' HD13 ' A' ' 91' ' ' ILE . . . -58.79 -50.25 74.67 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.34 -42.35 91.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.564 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.11 93.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.738 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.47 -42.54 87.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.618 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.34 -45.18 95.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.459 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.646 ' NZ ' ' NE2' ' A' ' 31' ' ' GLN . 66.1 tttm -55.91 -42.21 75.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.65 -41.69 95.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.774 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.72 94.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.715 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.15 -29.24 69.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.124 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.646 ' NE2' ' NZ ' ' A' ' 27' ' ' LYS . 88.3 mt-30 -79.52 -4.51 51.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.389 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.11 12.51 76.39 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -96.04 79.79 3.25 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.73 0.3 . . . . 0.0 110.299 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -64.25 -35.0 79.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.711 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.82 -48.53 78.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.068 0.461 . . . . 0.0 110.69 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.21 -35.06 79.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.321 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.39 -48.02 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.515 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -42.27 98.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.828 0.347 . . . . 0.0 110.651 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.3 -42.34 99.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 90.1 mmm -65.77 -40.66 92.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.5 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.439 ' SD ' ' CD1' ' A' ' 95' ' ' ILE . 92.5 mmm -63.32 -41.12 98.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.645 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.84 -43.97 97.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.581 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.68 -40.91 97.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.205 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.7 t -61.25 -46.56 89.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.53 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -60.37 -42.05 95.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.265 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtt -61.78 -42.1 98.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.238 0.542 . . . . 0.0 110.624 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -41.56 98.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.16 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.518 ' CD1' ' HE ' ' A' ' 88' ' ' ARG . 99.4 mt -65.22 -39.92 93.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.647 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.04 -41.6 96.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.839 0.352 . . . . 0.0 110.312 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -64.9 -40.63 95.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.157 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.61 82.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.429 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -62.27 -38.22 88.5 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.394 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.0 mt -61.6 -42.78 99.35 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.343 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.57 -43.72 96.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.043 0.449 . . . . 0.0 110.018 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -60.33 -42.13 94.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.4 m -56.89 -43.34 81.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.119 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -62.99 -39.38 94.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.572 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.506 HD11 HG11 ' A' ' 7' ' ' VAL . 96.2 mt -63.74 -29.75 70.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.641 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.9 -31.65 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -83.06 -9.24 59.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.465 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.46 162.6 51.95 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.09 138.96 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 0.0 110.535 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.07 142.24 54.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.26 -172.44 49.06 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.66 117.87 10.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.847 0.356 . . . . 0.0 110.693 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.34 -0.54 81.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -100.4 137.84 38.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.669 0.271 . . . . 0.0 110.475 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.44 ' SD ' ' OE2' ' B' ' 5' ' ' GLU . 64.6 ttp -110.66 -86.37 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.596 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -108.77 -36.67 6.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.451 HG23 ' CD2' ' B' ' 72' ' ' LEU . 21.0 m -132.59 155.52 41.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.76 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 75' ' ' VAL . 84.5 p -131.85 165.54 23.61 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 178.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 tt -57.21 -43.39 82.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.599 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.509 HG13 HG21 ' A' ' 8' ' ' VAL . 55.2 t -62.74 -45.55 98.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.887 0.375 . . . . 0.0 110.544 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.88 -39.9 93.55 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-O 121.081 0.467 . . . . 0.0 110.981 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 71' ' ' SER . 53.3 t -59.34 -47.51 90.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.189 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -58.44 -45.81 87.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.776 0.322 . . . . 0.0 110.324 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.21 -41.66 99.18 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.756 0.312 . . . . 0.0 110.694 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.69 -39.88 95.42 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.195 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 83' ' ' THR . 30.5 tp -56.74 -47.77 79.3 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.367 -179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -66.58 -46.33 76.34 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.739 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.16 -45.7 92.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.805 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.53 -44.13 97.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.221 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 79' ' ' LEU . 21.9 p -62.98 -46.9 85.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.4 t -62.95 -47.47 83.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.418 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 31.7 ttm -58.86 -48.22 82.15 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.566 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.699 HD13 HH12 ' B' ' 19' ' ' ARG . 54.8 tp -60.97 -44.98 96.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.951 0.405 . . . . 0.0 110.103 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.78 -46.13 90.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.855 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.518 ' HE ' ' CD1' ' A' ' 48' ' ' LEU . 7.8 tmm_? -61.66 -45.66 93.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.064 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.63 -48.29 82.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.15 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.13 -40.82 97.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.102 0.477 . . . . 0.0 109.81 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.585 HD13 ' HB1' ' A' ' 22' ' ' ALA . 33.0 mt -60.18 -41.76 87.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.299 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 17.6 m -57.47 -45.81 84.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.043 0.449 . . . . 0.0 109.863 179.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.95 -42.27 99.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.516 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.27 -43.07 96.5 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.439 ' CD1' ' SD ' ' A' ' 41' ' ' MET . 88.2 mt -60.9 -43.2 95.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.473 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -59.3 -38.89 81.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.098 0.475 . . . . 0.0 109.788 179.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.2 mt -62.44 -41.12 98.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.869 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -59.3 -41.06 88.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -59.44 -41.5 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.18 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.79 -34.13 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.25 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.48 HD21 HD21 ' B' ' 101' ' ' LEU . 36.6 mt -83.67 -6.35 59.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.397 179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 57.13 23.69 8.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.492 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.557 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -57.58 -36.04 71.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.582 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.9 mt-10 -58.77 -76.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.497 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.658 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.8 mt -38.19 -38.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.494 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.44 ' OE2' ' SD ' ' A' ' 68' ' ' MET . 96.1 mt-10 -65.17 -47.42 77.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.855 0.359 . . . . 0.0 110.303 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' B' ' 3' ' ' GLU . 80.4 tt0 -67.42 -36.69 81.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.16 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.499 HG11 HD11 ' B' ' 58' ' ' LEU . 83.3 t -64.14 -42.0 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.362 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.658 HG23 ' O ' ' B' ' 4' ' ' LEU . 71.1 t -60.58 -44.27 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.846 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.74 -40.9 89.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.59 -41.75 97.69 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 11' ' ' LEU . 88.0 mt -63.18 -42.64 99.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.828 0.346 . . . . 0.0 110.415 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.73 -43.89 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.694 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.42 -44.21 98.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.918 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -61.43 -45.65 93.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.893 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -60.18 -44.01 95.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.101 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.29 -42.24 97.89 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.105 -1.198 . . . . 0.0 110.105 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.505 ' O ' ' OG ' ' B' ' 20' ' ' SER . 93.6 mm-40 -63.99 -42.79 97.1 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.407 ' CB ' HD21 ' B' ' 48' ' ' LEU . . . -58.88 -48.52 81.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.906 179.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.699 HH12 HD13 ' A' ' 86' ' ' LEU . 63.2 ttm-85 -61.29 -47.32 86.5 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.505 ' OG ' ' O ' ' B' ' 17' ' ' GLN . 79.3 p -54.26 -45.09 72.33 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.69 -42.7 99.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.713 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.549 ' HB1' HD13 ' B' ' 91' ' ' ILE . . . -59.1 -50.09 75.38 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.41 -42.14 91.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.704 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.01 -42.43 94.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.704 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.52 86.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.611 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.39 -45.32 94.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.305 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.644 ' NZ ' ' NE2' ' B' ' 31' ' ' GLN . 65.8 tttm -55.92 -42.03 75.46 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.99 -41.45 96.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.876 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.07 -42.52 94.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.598 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.31 -29.35 69.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.062 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.644 ' NE2' ' NZ ' ' B' ' 27' ' ' LYS . 88.2 mt-30 -79.56 -4.29 50.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.337 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.79 12.72 76.84 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -96.07 79.62 3.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.858 0.361 . . . . 0.0 110.31 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -64.27 -34.86 79.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.604 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.67 -48.66 78.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 110.822 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.19 -34.9 79.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.44 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.51 -48.01 79.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.548 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.63 -42.69 99.25 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.849 0.357 . . . . 0.0 110.606 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.49 99.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.693 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.9 mmm -65.76 -40.34 91.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.545 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.436 ' SD ' ' CD1' ' B' ' 95' ' ' ILE . 92.4 mmm -63.65 -41.04 98.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.17 -43.6 98.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.415 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.79 -41.11 97.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.33 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 11.5 t -61.08 -46.78 89.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.433 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -60.11 -42.23 94.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.288 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 60.7 mtt -61.36 -42.65 99.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.307 0.575 . . . . 0.0 110.672 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.24 -41.5 99.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.155 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.528 ' CD1' ' HE ' ' B' ' 88' ' ' ARG . 98.2 mt -65.27 -39.94 93.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.735 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.88 -41.7 96.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.369 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -64.88 -40.7 95.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.156 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.9 82.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.455 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.94 -38.68 89.36 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.313 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.96 -43.22 99.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.319 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.27 -44.15 97.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.036 0.446 . . . . 0.0 109.99 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -60.07 -42.15 93.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.21 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 17.6 m -56.89 -43.59 81.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.919 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -62.86 -39.36 94.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.934 0.397 . . . . 0.0 110.615 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.499 HD11 HG11 ' B' ' 7' ' ' VAL . 96.3 mt -63.64 -29.47 70.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.706 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.23 -31.59 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.796 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -83.2 -8.94 59.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.522 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.58 161.74 52.48 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.55 138.92 58.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.847 0.356 . . . . 0.0 110.465 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.29 142.53 54.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.393 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.44 -172.5 49.04 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.769 -0.933 . . . . 0.0 110.769 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.67 117.91 10.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 0.0 110.64 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.58 -0.86 80.89 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -99.97 138.8 36.55 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.68 0.276 . . . . 0.0 110.528 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . 0.435 ' SD ' ' OE2' ' C' ' 5' ' ' GLU . 64.4 ttp -111.68 -86.1 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.636 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -109.09 -36.41 6.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.493 HG23 ' CD2' ' C' ' 72' ' ' LEU . 24.9 m -133.25 154.71 39.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.77 179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . 0.428 ' O ' HG23 ' B' ' 75' ' ' VAL . 88.1 p -130.51 167.12 19.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.476 -178.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . 0.451 ' CD2' HG23 ' A' ' 70' ' ' VAL . 8.3 tt -59.76 -42.97 94.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.536 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.489 HG13 HG21 ' B' ' 8' ' ' VAL . 56.1 t -62.25 -44.94 99.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.608 -178.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.23 -39.12 91.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.123 0.487 . . . . 0.0 110.935 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 71' ' ' SER . 53.5 t -60.04 -47.43 91.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.256 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -58.6 -45.51 88.98 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.79 98.78 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.929 0.395 . . . . 0.0 110.426 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.5 -39.72 95.17 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.242 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.476 ' O ' HG23 ' B' ' 83' ' ' THR . 29.4 tp -56.99 -47.4 80.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.433 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -67.02 -46.34 74.78 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.701 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.84 -45.91 91.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.817 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.43 -43.98 97.53 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.247 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.476 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.3 p -63.14 -47.16 83.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.136 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 37.5 t -62.45 -47.44 84.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 32.0 ttm -58.91 -48.78 80.24 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.431 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.689 HD13 HH12 ' C' ' 19' ' ' ARG . 54.6 tp -60.6 -45.08 95.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.141 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.62 88.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.867 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.528 ' HE ' ' CD1' ' B' ' 48' ' ' LEU . 7.8 tmm_? -60.96 -46.08 92.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.291 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.446 ' OE1' ' OH ' ' C' ' 23' ' ' TYR . 95.9 mt-10 -60.33 -48.35 82.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.15 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.94 -40.94 97.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.08 0.467 . . . . 0.0 110.02 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.549 HD13 ' HB1' ' B' ' 22' ' ' ALA . 32.6 mt -60.2 -41.89 88.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.227 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 18.1 m -57.39 -45.58 84.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.012 0.435 . . . . 0.0 109.829 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.16 -42.01 99.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.491 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.43 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 83.2 mt -60.45 -42.92 97.15 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.436 ' CD1' ' SD ' ' B' ' 41' ' ' MET . 89.3 mt -61.08 -42.89 94.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.546 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -59.58 -39.08 82.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.708 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.35 -41.34 98.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.836 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 71.0 m80 -58.9 -41.28 86.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.802 179.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -59.48 -41.26 89.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.111 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.95 -34.0 76.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.487 HD21 HD21 ' C' ' 101' ' ' LEU . 37.8 mt -83.85 -6.37 59.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.366 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 57.0 23.95 8.94 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.551 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.877 -1.059 . . . . 0.0 110.531 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -57.69 -36.22 71.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.594 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.7 mt-10 -58.49 -76.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.378 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.655 ' O ' HG23 ' C' ' 8' ' ' VAL . 95.4 mt -38.18 -38.43 0.34 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.404 -179.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . 0.435 ' OE2' ' SD ' ' B' ' 68' ' ' MET . 96.0 mt-10 -64.87 -47.34 78.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 0.0 110.404 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' C' ' 3' ' ' GLU . 79.0 tt0 -67.42 -36.87 82.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.352 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.48 HG11 HD11 ' C' ' 58' ' ' LEU . 83.8 t -64.06 -42.07 94.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.378 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.655 HG23 ' O ' ' C' ' 4' ' ' LEU . 70.4 t -60.32 -44.66 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.975 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 92.6 mtp -59.35 -41.11 88.47 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.2 -41.86 98.16 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.263 -1.135 . . . . 0.0 110.263 179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 88.3 mt -62.9 -43.19 99.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 110.424 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.18 -43.88 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.742 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.57 -44.15 98.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.101 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -61.34 -45.72 93.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.752 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 49.4 m -60.27 -44.04 95.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.168 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.24 -42.29 97.95 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.116 -1.194 . . . . 0.0 110.116 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.489 ' O ' ' OG ' ' C' ' 20' ' ' SER . 93.2 mm-40 -63.85 -42.5 97.56 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.2 -49.06 79.29 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.689 HH12 HD13 ' B' ' 86' ' ' LEU . 63.3 ttm-85 -60.83 -47.54 85.91 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' C' ' 17' ' ' GLN . 77.7 p -54.27 -44.83 72.18 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 -179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.76 -42.78 99.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.739 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.576 ' HB1' HD13 ' C' ' 91' ' ' ILE . . . -58.88 -50.44 73.99 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.446 ' OH ' ' OE1' ' B' ' 89' ' ' GLU . 8.1 m-85 -59.0 -42.76 90.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.556 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.21 92.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.755 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.77 87.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.601 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.28 -45.27 95.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.442 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . 0.653 ' NZ ' HE21 ' C' ' 31' ' ' GLN . 66.1 tttm -55.78 -42.25 75.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -60.91 -41.65 96.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.92 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.92 -42.09 93.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.814 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.78 -29.24 70.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.065 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.653 HE21 ' NZ ' ' C' ' 27' ' ' LYS . 88.1 mt-30 -79.29 -4.43 50.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.21 12.18 76.82 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -95.89 80.37 3.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.754 0.312 . . . . 0.0 110.208 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -64.75 -35.12 80.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.526 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.57 -48.38 79.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.046 0.451 . . . . 0.0 110.67 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -34.99 79.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.342 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.58 81.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.487 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.04 -42.96 99.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.61 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.6 99.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.759 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.67 -40.67 92.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.437 ' SD ' ' CD1' ' C' ' 95' ' ' ILE . 92.4 mmm -63.41 -41.44 98.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.584 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.85 -43.99 97.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.417 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -63.14 -41.2 99.26 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.318 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . . . . . . . . . 10.9 t -61.18 -46.64 89.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.501 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.23 -42.33 94.98 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.334 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 61.9 mtt -61.18 -42.95 99.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.304 0.573 . . . . 0.0 110.478 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.72 99.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.315 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.519 ' CD1' ' HE ' ' C' ' 88' ' ' ARG . 97.3 mt -65.19 -39.53 92.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.782 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.68 -40.94 96.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.397 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -65.55 -40.52 92.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.014 0.435 . . . . 0.0 110.068 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.4 -44.73 82.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.51 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -62.06 -38.24 88.03 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.39 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 39.4 mt -61.51 -43.12 99.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.321 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.22 -43.81 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.019 0.438 . . . . 0.0 109.982 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.34 -42.11 95.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.228 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.699 HG21 HG22 ' D' ' 356' ' ' THR . 16.8 m -56.88 -43.21 81.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.123 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -63.2 -39.44 94.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.53 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.48 HD11 HG11 ' C' ' 7' ' ' VAL . 95.9 mt -63.45 -29.67 70.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.754 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -86.09 -31.68 6.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.819 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.534 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 80.6 mm-40 -83.07 -9.02 59.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.501 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.1 162.33 51.59 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.09 139.05 58.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.856 0.36 . . . . 0.0 110.419 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.24 142.13 54.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.453 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.15 -172.18 48.88 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.87 118.29 10.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 110.535 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.22 -0.92 82.0 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -99.95 138.7 36.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.624 0.25 . . . . 0.0 110.546 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 64.7 ttp -111.74 -85.71 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.526 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.538 ' NZ ' HD21 ' D' ' 347' ' ' LEU . 88.5 tttt -109.21 -36.79 5.95 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 24.2 m -132.73 154.72 40.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.767 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . 0.459 ' O ' HG23 ' C' ' 75' ' ' VAL . 87.7 p -129.87 169.31 15.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.532 -178.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . 0.493 ' CD2' HG23 ' B' ' 70' ' ' VAL . 7.5 tt -60.27 -43.72 95.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.731 -177.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.47 HG13 HG21 ' C' ' 8' ' ' VAL . 54.4 t -62.59 -45.63 98.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 130.042 3.337 . . . . 0.0 110.602 -178.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.94 -39.03 93.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.999 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . 0.459 HG23 ' O ' ' C' ' 71' ' ' SER . 54.6 t -60.1 -47.86 90.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.169 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -58.64 -45.6 88.93 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.352 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.78 98.56 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.871 0.367 . . . . 0.0 110.398 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.59 -39.74 95.16 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.32 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.475 ' O ' HG23 ' C' ' 83' ' ' THR . 29.1 tp -56.76 -47.85 79.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.45 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -66.62 -46.36 76.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.668 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.19 -45.47 93.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.8 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.68 -43.93 97.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.359 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.475 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.8 p -63.09 -46.94 85.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.195 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 36.1 t -62.78 -47.43 83.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.594 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . 0.58 ' CE ' HD21 ' D' ' 312' ' ' ASN . 31.7 ttm -59.02 -48.59 81.03 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.475 -179.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 tp -60.71 -44.91 96.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.398 . . . . 0.0 110.195 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.52 -46.48 88.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.981 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . 0.519 ' HE ' ' CD1' ' C' ' 48' ' ' LEU . 8.0 tmm_? -61.18 -46.2 91.45 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.211 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.13 -48.32 82.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.208 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.09 -41.14 97.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.183 0.516 . . . . 0.0 110.017 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.576 HD13 ' HB1' ' C' ' 22' ' ' ALA . 33.1 mt -59.9 -41.9 87.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.367 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . . . . . . . . . 16.7 m -57.3 -45.44 84.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.129 0.49 . . . . 0.0 109.993 179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.37 -42.01 98.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.456 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.458 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 84.1 mt -60.34 -42.86 96.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . 0.437 ' CD1' ' SD ' ' C' ' 41' ' ' MET . 88.5 mt -61.16 -43.08 95.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.513 178.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.2 -39.11 81.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.129 0.49 . . . . 0.0 109.781 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 38.0 mt -62.44 -41.24 98.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.831 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.458 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 71.1 m80 -59.09 -41.2 87.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -59.77 -40.87 89.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.081 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.09 -33.95 76.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.167 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . 0.487 HD21 HD21 ' B' ' 101' ' ' LEU . 37.0 mt -84.08 -6.62 59.44 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.323 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 57.7 23.58 9.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.447 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.592 -179.889 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 301' ' ' MET . . . . . 0.529 ' HB2' ' HG2' ' D' ' 366' ' ' GLU . 3.4 ttm . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 121.82 0.819 . . . . 0.0 108.961 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 302' ' ' PHE . . . . . 0.467 ' N ' ' CG ' ' D' ' 301' ' ' MET . 46.6 t80 -139.88 142.98 36.48 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 178.523 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 303' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' D' ' 304' ' ' GLN . 5.4 pt20 -152.98 156.36 38.7 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.968 -1.083 . . . . 0.0 109.535 179.196 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 304' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' D' ' 303' ' ' GLN . 42.2 mm-40 -152.12 149.21 28.54 Favored 'General case' 0 C--N 1.292 -1.893 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.572 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 305' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.24 152.36 18.94 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.101 -1.0 . . . . 0.0 108.425 178.306 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.87 144.28 19.26 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 177.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 307' ' ' THR . . . . . . . . . . . . . 85.0 m -96.58 136.61 36.86 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 122.007 0.908 . . . . 0.0 110.178 177.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 308' ' ' ILE . . . . . . . . . . . . . 50.8 mt -85.0 114.34 25.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 105.326 -2.101 . . . . 0.0 105.326 177.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 309' ' ' THR . . . . . . . . . . . . . 46.8 p -106.88 -4.29 19.35 Favored 'General case' 0 C--N 1.265 -3.075 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -178.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 310' ' ' ALA . . . . . 0.813 ' HB1' ' OXT' ' D' ' 385' ' ' GLU . . . -71.58 141.84 85.66 Favored Pre-proline 0 N--CA 1.501 2.084 0 O-C-N 119.686 -1.884 . . . . 0.0 110.564 178.76 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 311' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -45.43 -47.76 12.62 Favored 'Trans proline' 0 C--N 1.311 -1.396 0 C-N-CA 124.731 3.62 . . . . 0.0 114.115 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 312' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -102.12 27.53 6.57 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 116.125 -2.23 . . . . 0.0 108.746 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 313' ' ' GLY . . . . . . . . . . . . . . . 60.02 -143.36 47.23 Favored Glycine 0 N--CA 1.497 2.758 0 C-N-CA 117.62 -2.229 . . . . 0.0 109.576 -179.088 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' D' ' 314' ' ' LEU . 12.6 tp -88.46 73.3 8.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.942 -1.328 . . . . 0.0 109.493 -177.22 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 315' ' ' HIS . . . . . 0.654 ' H ' ' CD2' ' D' ' 315' ' ' HIS . 1.4 p80 -65.73 176.67 1.47 Allowed 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 117.856 -1.538 . . . . 0.0 112.183 -178.524 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 316' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' D' ' 317' ' ' ARG . 1.5 p -41.26 -66.85 0.29 Allowed 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 117.226 2.306 . . . . 0.0 117.226 -176.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.53 ' N ' ' OG1' ' D' ' 316' ' ' THR . 1.7 tmt_? -56.32 -51.27 82.27 Favored Pre-proline 0 N--CA 1.493 1.684 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.525 -177.521 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 318' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' D' ' 317' ' ' ARG . 20.7 Cg_endo -64.42 -32.23 60.6 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 CA-C-N 119.3 0.786 . . . . 0.0 111.426 -178.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 319' ' ' ALA . . . . . 0.468 ' O ' HG23 ' D' ' 323' ' ' VAL . . . -66.99 -38.78 86.66 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.284 -0.885 . . . . 0.0 109.529 -179.364 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 320' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 13' ' ' ILE . . . -71.02 -39.71 72.21 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 178.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 321' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -63.94 -39.42 94.1 Favored 'General case' 0 N--CA 1.492 1.651 0 C-N-CA 118.042 -1.463 . . . . 0.0 109.492 177.118 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 322' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' D' ' 377' ' ' LEU . 87.4 t80 -62.71 -45.3 93.41 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 122.614 1.197 . . . . 0.0 108.672 -177.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 323' ' ' VAL . . . . . 0.468 HG23 ' O ' ' D' ' 319' ' ' ALA . 53.3 t -62.69 -42.23 95.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.254 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.618 -179.548 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -63.87 -40.27 96.15 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.239 -0.913 . . . . 0.0 109.731 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 325' ' ' GLU . . . . . 0.532 ' CD ' HD22 ' D' ' 380' ' ' LEU . 31.8 tt0 -68.81 -39.74 79.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.375 -0.828 . . . . 0.0 109.565 178.02 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 326' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.99 91.62 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.657 -1.277 . . . . 0.0 109.439 178.558 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 327' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.42 -16.13 43.71 Favored 'General case' 0 N--CA 1.511 2.61 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 328' ' ' GLY . . . . . . . . . . . . . . . -76.93 -10.53 86.14 Favored Glycine 0 N--CA 1.479 1.553 0 O-C-N 119.931 -1.731 . . . . 0.0 109.347 179.083 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HE1' ' HE3' ' D' ' 372' ' ' LYS . 92.8 m-85 -103.48 143.35 32.83 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.338 -1.684 . . . . 0.0 109.98 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 330' ' ' THR . . . . . . . . . . . . . 48.1 p -75.61 -30.13 59.46 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.313 179.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 331' ' ' SER . . . . . . . . . . . . . 15.8 m -59.66 158.53 9.97 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 119.817 -1.802 . . . . 0.0 112.841 -179.227 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 332' ' ' GLU . . . . . 0.576 ' CD ' ' C ' ' D' ' 332' ' ' GLU . 0.2 OUTLIER -78.91 130.24 35.39 Favored 'General case' 0 C--N 1.31 -1.113 0 N-CA-C 102.792 -3.04 . . . . 0.0 102.792 171.242 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' D' D ' 333' ' ' ILE . . . . . . . . . . . . . 39.3 mt -126.72 136.56 60.45 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.41 0 CA-C-O 122.163 0.982 . . . . 0.0 109.351 -178.347 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 334' ' ' THR . . . . . . . . . . . . . 93.5 m -124.93 143.16 51.01 Favored 'General case' 0 C--N 1.285 -2.234 0 CA-C-O 123.121 1.439 . . . . 0.0 110.033 178.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 335' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' D' ' 344' ' ' ALA . 87.1 t -108.05 129.97 61.34 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.737 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 173.071 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 336' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' D' ' 362' ' ' THR . 70.7 m -127.47 119.53 26.31 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 120.87 -1.144 . . . . 0.0 108.909 -178.369 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 337' ' ' SER . . . . . . . . . . . . . 28.8 t -122.6 122.62 39.29 Favored 'General case' 0 N--CA 1.5 2.072 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.884 177.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 338' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 51.72 38.9 24.14 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.851 -1.155 . . . . 0.0 112.792 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 339' ' ' GLY . . . . . . . . . . . . . . . 81.71 11.03 83.47 Favored Glycine 0 N--CA 1.501 3.013 0 O-C-N 119.944 -1.722 . . . . 0.0 112.491 177.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 340' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' D' ' 336' ' ' THR . 26.5 mttp -119.9 136.26 54.57 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 177.522 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 341' ' ' SER . . . . . . . . . . . . . 68.7 m -124.74 158.54 33.02 Favored 'General case' 0 C--N 1.276 -2.61 0 CA-C-O 123.751 1.739 . . . . 0.0 112.416 -175.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 342' ' ' ALA . . . . . . . . . . . . . . . -151.73 151.36 31.31 Favored 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 112.513 -2.13 . . . . 0.0 108.579 177.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 343' ' ' SER . . . . . . . . . . . . . 8.1 t -70.58 135.91 48.84 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 173.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 344' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' D' ' 335' ' ' VAL . . . -72.92 -6.74 47.21 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 120.737 -1.227 . . . . 0.0 110.739 179.274 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 345' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -97.56 12.96 31.69 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.605 -1.309 . . . . 0.0 109.32 -177.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 346' ' ' SER . . . . . . . . . . . . . 92.8 p -133.05 104.17 6.4 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 122.199 1.0 . . . . 0.0 110.146 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 347' ' ' LEU . . . . . 0.533 HD22 ' CE ' ' A' ' 9' ' ' MET . 56.9 tp -57.2 -38.0 73.02 Favored 'General case' 0 C--N 1.292 -1.932 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.891 178.275 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 348' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.87 -51.32 70.52 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.637 -1.29 . . . . 0.0 113.07 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 349' ' ' LYS . . . . . . . . . . . . . 37.7 tptt -70.12 -32.39 70.38 Favored 'General case' 0 C--O 1.213 -0.833 0 O-C-N 119.537 -1.977 . . . . 0.0 109.2 -178.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.76 -33.79 75.88 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.921 -177.515 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 351' ' ' GLN . . . . . 0.532 ' O ' ' OE1' ' C' ' 60' ' ' GLU . 67.0 tp60 -67.65 -10.5 52.74 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.67 -0.644 . . . . 0.0 109.92 -177.537 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 352' ' ' THR . . . . . 0.437 ' C ' ' OE1' ' C' ' 60' ' ' GLU . 35.3 p -89.71 -7.77 53.82 Favored 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 118.117 -1.433 . . . . 0.0 110.917 -178.416 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 353' ' ' LEU . . . . . 0.477 ' O ' ' CD ' ' C' ' 60' ' ' GLU . 95.1 mt -93.37 159.28 15.33 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.221 -0.924 . . . . 0.0 110.163 -178.505 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 354' ' ' GLY . . . . . . . . . . . . . . . -86.67 104.91 2.97 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 106.846 -2.501 . . . . 0.0 106.846 177.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 355' ' ' LEU . . . . . . . . . . . . . 88.1 mt -119.68 47.47 1.71 Allowed 'General case' 0 C--N 1.308 -1.2 0 O-C-N 120.694 -1.474 . . . . 0.0 107.403 -178.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 356' ' ' THR . . . . . . . . . . . . . 61.9 p -81.5 172.52 13.4 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.836 -1.145 . . . . 0.0 109.155 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 357' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -60.71 140.91 57.35 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 119.337 -0.945 . . . . 0.0 109.901 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 358' ' ' GLY . . . . . . . . . . . . . . . 91.47 -3.25 78.87 Favored Glycine 0 N--CA 1.501 2.986 0 C-N-CA 119.968 -1.111 . . . . 0.0 111.325 177.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 359' ' ' THR . . . . . . . . . . . . . 55.0 m -84.45 136.01 34.02 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.842 -1.387 . . . . 0.0 110.58 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 360' ' ' VAL . . . . . . . . . . . . . 91.2 t -96.65 123.77 49.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 176.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 361' ' ' VAL . . . . . 0.488 HG21 ' SD ' ' D' ' 381' ' ' MET . 22.5 m -112.14 160.11 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.317 0 C-N-CA 117.424 -1.71 . . . . 0.0 110.635 178.658 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 362' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' D' ' 336' ' ' THR . 91.8 m -108.95 128.41 54.91 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.497 -1.377 . . . . 0.0 107.552 175.441 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 363' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' D' ' 303' ' ' GLN . 32.9 mt -107.9 121.43 60.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 105.369 -2.086 . . . . 0.0 105.369 176.354 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 364' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' D' ' 303' ' ' GLN . 0.7 OUTLIER -128.66 147.25 50.73 Favored 'General case' 0 C--N 1.285 -2.208 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 -179.523 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' D' D ' 365' ' ' ALA . . . . . . . . . . . . . . . -139.78 153.45 47.14 Favored 'General case' 0 C--N 1.294 -1.833 0 C-N-CA 118.5 -1.28 . . . . 0.0 109.684 -179.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 366' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' D' ' 301' ' ' MET . 0.2 OUTLIER -141.19 110.72 6.4 Favored 'General case' 0 C--N 1.289 -2.055 0 C-N-CA 118.538 -1.265 . . . . 0.0 108.071 178.187 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' D' D ' 367' ' ' GLY . . . . . . . . . . . . . . . 165.29 -170.29 40.17 Favored Glycine 0 C--N 1.296 -1.677 0 C-N-CA 117.971 -2.062 . . . . 0.0 110.345 178.647 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 368' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -58.39 -40.63 82.89 Favored 'General case' 0 C--N 1.275 -2.658 0 CA-C-N 114.445 -0.878 . . . . 0.0 112.163 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 369' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -114.06 36.8 3.54 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 115.906 -2.318 . . . . 0.0 108.621 -178.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 370' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.38 -33.49 65.78 Favored 'General case' 0 N--CA 1.521 3.114 0 N-CA-C 116.869 2.174 . . . . 0.0 116.869 -174.049 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 371' ' ' GLN . . . . . 0.44 ' H ' ' HG2' ' D' ' 371' ' ' GLN . 0.0 OUTLIER -76.9 -45.77 26.82 Favored 'General case' 0 N--CA 1.508 2.461 0 O-C-N 119.597 -1.939 . . . . 0.0 110.919 -176.526 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' D' D ' 372' ' ' LYS . . . . . 0.777 ' HZ2' ' CE1' ' D' ' 376' ' ' HIS . 11.9 ttpp -63.51 -40.64 97.59 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 178.264 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 373' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.47 77.74 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 117.481 -1.688 . . . . 0.0 110.057 -178.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 374' ' ' VAL . . . . . . . . . . . . . 67.1 t -66.93 -42.16 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-O 122.176 0.988 . . . . 0.0 109.277 -178.137 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 375' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -55.84 -47.87 76.5 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-O 122.085 0.945 . . . . 0.0 108.82 -178.352 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 376' ' ' HIS . . . . . 0.777 ' CE1' ' HZ2' ' D' ' 372' ' ' LYS . 13.9 m-70 -69.83 -38.28 76.49 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.699 -178.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 377' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' D' ' 377' ' ' LEU . 80.1 mt -75.7 -28.54 58.65 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.42 -1.425 . . . . 0.0 110.846 -174.23 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 378' ' ' VAL . . . . . . . . . . . . . 2.1 t -71.51 -39.51 70.71 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.428 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 379' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -67.88 -49.28 62.92 Favored 'General case' 0 C--N 1.292 -1.897 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 380' ' ' LEU . . . . . 0.532 HD22 ' CD ' ' D' ' 325' ' ' GLU . 21.4 tp -57.26 -45.14 84.28 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.565 177.575 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 381' ' ' MET . . . . . 0.488 ' SD ' HG21 ' D' ' 361' ' ' VAL . 3.6 ttm -62.4 -37.39 85.59 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.941 -1.099 . . . . 0.0 111.468 -177.468 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 382' ' ' ALA . . . . . . . . . . . . . . . -74.9 -31.83 61.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.06 -1.025 . . . . 0.0 110.285 -178.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 383' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -78.87 -32.3 45.9 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.548 -0.72 . . . . 0.0 111.387 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 384' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.03 125.52 12.3 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 124.292 1.996 . . . . 0.0 112.911 178.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 385' ' ' GLU . . . . . 0.813 ' OXT' ' HB1' ' D' ' 310' ' ' ALA . 47.6 mt-10 . . . . . 0 C--N 1.277 -2.576 0 CA-C-N 111.126 -2.761 . . . . 0.0 110.097 -177.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -57.43 -36.62 71.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.514 -179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' GLU . 97.2 mt-10 -58.66 -77.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.464 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.667 ' O ' HG23 ' A' ' 8' ' ' VAL . 95.7 mt -37.28 -38.28 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.399 -179.035 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -65.23 -46.7 79.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.915 0.388 . . . . 0.0 110.309 179.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' GLU . 81.8 tt0 -68.46 -35.03 77.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.257 179.83 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.415 ' CG1' HD11 ' A' ' 58' ' ' LEU . 87.7 t -64.56 -42.87 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.384 -179.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 4' ' ' LEU . 86.5 t -60.81 -43.84 96.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.977 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.533 ' CE ' HD22 ' D' ' 347' ' ' LEU . 93.2 mtp -59.33 -41.03 88.18 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.2 -42.12 96.53 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.284 -1.126 . . . . 0.0 110.284 179.271 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 35.3 mt -63.31 -42.34 99.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.852 0.358 . . . . 0.0 110.15 179.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.34 -44.08 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.704 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.524 HD11 ' HB1' ' D' ' 320' ' ' ALA . 83.7 mt -63.2 -44.09 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.988 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -61.33 -45.52 94.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.82 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.8 t -60.64 -44.01 96.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.002 179.554 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.21 -43.03 97.66 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -62.73 -45.13 94.14 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.45 -48.43 79.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.859 179.413 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.643 ' NH2' ' CZ ' ' A' ' 23' ' ' TYR . 77.4 ttt-85 -60.29 -47.27 86.72 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.589 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.0 m -54.78 -43.81 73.15 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.34 -43.2 98.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.687 179.102 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.615 ' HB1' HD12 ' A' ' 91' ' ' ILE . . . -59.38 -50.2 74.88 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.643 ' CZ ' ' NH2' ' A' ' 19' ' ' ARG . 8.0 m-85 -59.51 -42.44 92.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.532 179.508 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.19 93.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.785 179.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -42.73 83.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.68 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.0 tp -61.39 -44.75 96.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.451 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -56.11 -42.17 76.39 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.553 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.09 -41.49 96.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.743 179.161 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.65 94.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.698 179.263 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.07 -29.54 69.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.145 179.067 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -80.51 -4.72 54.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.499 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.9 14.18 73.16 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.61 79.73 2.75 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 120.729 0.3 . . . . 0.0 110.331 179.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -65.23 -34.72 79.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.66 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.36 -49.42 73.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.083 0.468 . . . . 0.0 110.747 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -35.67 81.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.381 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.85 -48.5 78.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.588 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -60.09 -42.98 95.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.632 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.19 94.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.78 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -64.94 -41.53 95.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.493 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.528 ' CE ' ' OG1' ' A' ' 92' ' ' THR . 98.5 mmm -63.13 -40.19 96.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.606 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -62.32 -43.99 97.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.024 0.44 . . . . 0.0 110.621 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.64 -40.45 96.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.206 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 41' ' ' MET . 78.7 p -61.74 -45.44 93.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.532 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -59.79 -42.94 94.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.247 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.0 ttp -60.38 -44.41 95.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.215 0.531 . . . . 0.0 110.593 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.96 99.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.25 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.31 -40.69 96.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.683 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.413 ' OD1' ' C ' ' A' ' 49' ' ' ASN . 51.1 t-20 -60.7 -41.69 95.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.302 -179.511 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.72 -40.3 95.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.071 0.463 . . . . 0.0 110.265 179.437 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.26 78.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.486 179.403 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.575 ' O ' HG23 ' A' ' 56' ' ' THR . 59.9 t-80 -60.98 -39.0 87.97 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.437 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.482 ' O ' ' OG1' ' A' ' 56' ' ' THR . 40.2 mt -60.66 -44.3 96.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.9 t -65.08 -43.36 95.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.02 0.438 . . . . 0.0 110.066 178.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.756 ' NE2' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -58.87 -44.85 91.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.207 -179.882 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 52' ' ' HIS . 40.5 p -58.07 -39.54 78.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.983 -179.519 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -64.07 -40.48 96.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.939 0.4 . . . . 0.0 110.504 179.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' A' ' 4' ' ' LEU . 96.0 mt -64.29 -29.92 70.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.638 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.756 HD11 ' NE2' ' A' ' 55' ' ' GLN . 96.7 mt -78.29 -30.76 15.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.772 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -83.87 -13.03 54.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.554 179.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.19 -163.12 0.13 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -86.9 112.05 21.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.389 . . . . 0.0 110.574 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.22 143.37 53.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.527 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.73 144.11 44.81 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -68.05 131.23 45.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.869 0.366 . . . . 0.0 110.729 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.85 -18.4 55.97 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.9 140.19 35.47 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.746 0.308 . . . . 0.0 110.425 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 98.6 mmm -70.34 -107.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.616 -179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.561 ' HG2' HG13 ' A' ' 70' ' ' VAL . 88.6 tttt -69.72 -95.35 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.919 0.39 . . . . 0.0 110.903 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.561 HG13 ' HG2' ' A' ' 69' ' ' LYS . 20.1 m -88.97 -148.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.741 -179.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.435 ' N ' HG23 ' A' ' 70' ' ' VAL . 83.8 p -133.13 167.59 20.06 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 178.462 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 tp -56.73 -43.4 80.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.626 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG13 HG21 ' A' ' 8' ' ' VAL . 69.3 t -62.72 -44.96 99.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.532 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.46 -40.19 93.61 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.002 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.43 -47.03 92.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.172 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -58.11 -46.15 86.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.789 0.328 . . . . 0.0 110.301 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.37 98.86 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.817 0.341 . . . . 0.0 110.636 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.753 ' NE2' HE21 ' A' ' 55' ' ' GLN . 94.0 mm-40 -61.78 -39.62 92.31 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.139 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 83' ' ' THR . 42.5 tp -58.39 -46.63 86.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.364 -179.121 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -67.68 -48.45 66.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.689 -179.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.24 -44.94 96.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.81 -179.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -62.0 -42.63 99.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.228 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 79' ' ' LEU . 20.1 p -64.82 -46.12 83.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.117 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.5 p -62.44 -49.56 74.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.516 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 66.1 ttp -57.56 -47.89 80.82 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.514 -179.282 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.89 -44.64 96.39 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.088 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.43 80.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.86 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.6 ttt-85 -58.73 -45.18 90.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.141 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.579 ' OE1' ' NH2' ' B' ' 19' ' ' ARG . 97.4 mt-10 -60.91 -44.16 97.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.078 -179.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.41 -42.92 95.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.216 0.531 . . . . 0.0 109.851 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.615 HD12 ' HB1' ' A' ' 22' ' ' ALA . 74.0 mt -59.95 -42.18 88.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.29 179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.528 ' OG1' ' CE ' ' A' ' 41' ' ' MET . 18.1 m -57.1 -45.51 83.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.037 0.446 . . . . 0.0 109.949 179.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.3 -43.89 96.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.254 0.549 . . . . 0.0 109.569 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.566 ' O ' ' ND1' ' A' ' 98' ' ' HIS . 85.5 mt -59.87 -43.71 94.57 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.89 -43.13 97.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.468 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.403 ' HG2' ' NZ ' ' A' ' 100' ' ' LYS . 81.9 tt0 -61.8 -39.6 92.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.749 179.302 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 97' ' ' LEU . 36.5 mt -62.1 -41.52 98.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.84 179.616 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 94' ' ' LEU . 64.6 m80 -59.25 -38.97 81.39 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.204 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 103' ' ' ALA . 81.6 tt0 -61.44 -39.81 92.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.168 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' ALA . 61.4 mttp -63.5 -39.15 93.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.199 179.589 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.55 -40.83 96.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.464 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -93.39 -8.0 43.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.451 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.582 -179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -57.08 -36.92 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.523 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' B' ' 6' ' ' GLU . 97.0 mt-10 -58.42 -76.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.476 -179.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.679 ' O ' HG23 ' B' ' 8' ' ' VAL . 95.7 mt -37.48 -38.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.457 -179.183 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.17 -46.72 79.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.929 0.395 . . . . 0.0 110.335 179.478 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' B' ' 3' ' ' GLU . 82.0 tt0 -68.27 -35.04 77.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.245 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.416 ' CG1' HD11 ' B' ' 58' ' ' LEU . 86.0 t -64.7 -42.98 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.348 -179.768 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 4' ' ' LEU . 87.9 t -60.81 -43.74 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.869 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 93.3 mtp -59.46 -41.12 88.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.95 -42.39 96.88 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 179.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' B' ' 11' ' ' LEU . 36.2 mt -63.07 -42.36 99.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.828 0.347 . . . . 0.0 110.376 179.545 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.44 -44.01 98.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.676 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.27 -44.35 99.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.887 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -61.05 -45.61 94.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.887 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 35.8 t -60.61 -43.93 96.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.067 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.18 -42.98 97.75 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -62.79 -45.49 92.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.97 -48.71 77.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.892 179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.643 ' NH2' ' CZ ' ' B' ' 23' ' ' TYR . 77.4 ttt-85 -60.0 -47.22 86.71 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -54.83 -43.98 73.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.14 -43.21 98.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.7 179.022 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.616 ' HB1' HD12 ' B' ' 91' ' ' ILE . . . -59.4 -50.15 75.06 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.751 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . 0.643 ' CZ ' ' NH2' ' B' ' 19' ' ' ARG . 8.0 m-85 -59.53 -42.51 92.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.686 179.402 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.05 93.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.753 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.49 -42.98 83.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.658 179.036 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 57.6 tp -61.14 -45.22 95.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.314 179.104 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -55.76 -42.22 75.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.95 -41.49 96.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.88 179.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.69 94.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.689 179.269 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.09 -29.54 69.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.089 179.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -80.67 -4.6 54.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.336 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.05 13.99 73.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -97.52 79.72 2.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 110.275 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -65.45 -34.76 79.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.596 -179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.78 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.0 0.428 . . . . 0.0 110.841 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.08 -35.57 80.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.416 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.18 79.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.576 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -60.23 -43.03 96.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.76 0.314 . . . . 0.0 110.58 -179.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.47 95.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.669 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 89.3 mmm -64.86 -41.18 95.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.537 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' MET . . . . . 0.524 ' CE ' ' OG1' ' B' ' 92' ' ' THR . 98.4 mmm -63.59 -39.84 95.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.532 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -62.76 -43.89 97.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.468 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -63.65 -40.47 96.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.353 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' B' ' 41' ' ' MET . 78.4 p -61.69 -45.35 94.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.465 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.0 -42.85 95.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.22 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' MET . . . . . . . . . . . . . 64.9 ttp -60.41 -44.29 95.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.251 0.548 . . . . 0.0 110.609 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.32 -42.35 99.0 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.198 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.99 -40.55 95.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.71 179.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' B' ' 49' ' ' ASN . 51.2 t-20 -60.41 -41.81 94.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.376 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -64.97 -40.21 94.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.156 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.79 -45.27 78.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.424 179.371 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' HIS . . . . . 0.583 ' O ' HG23 ' B' ' 56' ' ' THR . 59.9 t-80 -60.99 -39.05 88.19 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 -179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . 0.483 ' O ' ' OG1' ' B' ' 56' ' ' THR . 40.5 mt -60.5 -44.19 96.25 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.387 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.46 -43.18 94.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.069 0.462 . . . . 0.0 110.037 178.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.748 ' NE2' HD11 ' B' ' 59' ' ' ILE . 0.0 OUTLIER -58.89 -44.95 91.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.275 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.583 HG23 ' O ' ' B' ' 52' ' ' HIS . 40.7 p -58.0 -39.95 79.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.934 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -63.6 -40.75 97.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.979 0.419 . . . . 0.0 110.555 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.445 HD22 ' CD2' ' B' ' 4' ' ' LEU . 96.0 mt -63.99 -29.96 71.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.703 -179.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . 0.748 HD11 ' NE2' ' B' ' 55' ' ' GLN . 96.7 mt -78.28 -30.73 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -83.88 -12.98 54.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.537 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.93 -163.17 0.12 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 179.806 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -87.08 111.19 20.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.52 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.52 143.45 54.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.385 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.14 144.85 45.36 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -68.32 131.78 45.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.806 0.336 . . . . 0.0 110.603 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.33 -18.24 56.73 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.95 140.65 35.13 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.575 0.226 . . . . 0.0 110.521 179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mmm -70.8 -107.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.635 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.495 ' HG2' HG13 ' B' ' 70' ' ' VAL . 88.5 tttt -69.78 -95.72 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.853 179.661 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.495 HG13 ' HG2' ' B' ' 69' ' ' LYS . 20.8 m -87.06 -149.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.798 179.237 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 89.3 p -132.39 168.56 17.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.594 -178.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 72' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.83 -43.1 90.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.551 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.507 HG13 HG21 ' B' ' 8' ' ' VAL . 66.8 t -61.93 -44.64 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.593 -178.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.62 -39.47 91.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.088 0.471 . . . . 0.0 110.957 -178.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 51.1 t -59.84 -47.1 92.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.258 -179.175 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -58.79 -45.42 89.88 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.362 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.34 98.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.953 0.406 . . . . 0.0 110.456 179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 78' ' ' GLN . . . . . 0.741 ' NE2' HE21 ' B' ' 55' ' ' GLN . 93.8 mm-40 -61.91 -39.57 92.46 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.181 179.527 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.494 ' O ' HG23 ' B' ' 83' ' ' THR . 42.8 tp -58.34 -46.66 85.82 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.401 -179.221 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.8 -48.11 67.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.693 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.74 -44.8 96.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 -179.102 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 87.8 mmm -61.8 -43.11 99.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.253 -179.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.494 HG23 ' O ' ' B' ' 79' ' ' LEU . 20.3 p -64.35 -46.33 83.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.149 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -62.17 -49.8 74.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.605 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 85' ' ' MET . . . . . . . . . . . . . 65.4 ttp -57.25 -47.84 80.36 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.438 -179.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -62.03 -44.64 96.27 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.11 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.82 -48.79 78.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.926 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -58.54 -45.11 89.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.214 -179.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.574 ' OE1' ' NH2' ' C' ' 19' ' ' ARG . 97.9 mt-10 -60.99 -44.26 97.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.213 -179.763 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 79.1 mt -64.26 -42.62 96.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.095 0.474 . . . . 0.0 110.073 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.616 HD12 ' HB1' ' B' ' 22' ' ' ALA . 74.7 mt -60.26 -41.83 88.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.251 179.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.524 ' OG1' ' CE ' ' B' ' 41' ' ' MET . 18.0 m -57.37 -45.55 84.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.115 0.483 . . . . 0.0 109.913 179.469 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.51 -43.59 96.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.462 179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.569 ' O ' ' ND1' ' B' ' 98' ' ' HIS . 85.9 mt -59.88 -43.77 94.56 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.97 -43.29 97.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.504 179.354 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.406 ' HG2' ' NZ ' ' B' ' 100' ' ' LYS . 81.3 tt0 -61.66 -39.9 92.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.671 179.431 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' B' ' 97' ' ' LEU . 35.3 mt -61.89 -41.41 97.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.77 179.655 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 98' ' ' HIS . . . . . 0.569 ' ND1' ' O ' ' B' ' 94' ' ' LEU . 64.7 m80 -59.33 -39.09 82.06 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.263 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.572 ' O ' ' N ' ' B' ' 103' ' ' ALA . 82.1 tt0 -61.18 -40.03 92.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.037 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 100' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' B' ' 103' ' ' ALA . 61.5 mttp -63.37 -38.97 93.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.231 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.5 -41.88 96.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.331 179.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -92.51 -7.81 46.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.523 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' B' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.221 -0.4 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.546 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -57.63 -36.69 72.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.556 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' C' ' 6' ' ' GLU . 97.0 mt-10 -58.44 -77.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . 0.663 ' O ' HG23 ' C' ' 8' ' ' VAL . 94.8 mt -37.27 -38.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.449 -178.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 5' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.17 -46.4 80.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.838 0.351 . . . . 0.0 110.362 179.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' C' ' 3' ' ' GLU . 82.2 tt0 -68.67 -34.97 76.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.278 179.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 7' ' ' VAL . . . . . 0.414 ' CG1' HD11 ' C' ' 58' ' ' LEU . 89.1 t -64.69 -42.77 95.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 -179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.663 HG23 ' O ' ' C' ' 4' ' ' LEU . 89.7 t -60.85 -43.67 96.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.033 179.653 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 93.1 mtp -59.63 -40.7 88.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.26 -42.59 96.16 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 110.239 -1.144 . . . . 0.0 110.239 179.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 11' ' ' LEU . 36.5 mt -62.8 -42.55 99.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.368 179.593 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.06 -44.04 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.7 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 83.5 mt -63.29 -44.31 99.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.039 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.09 -45.45 94.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.82 179.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 36.1 t -60.64 -44.13 96.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.179 179.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.75 -43.19 98.12 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.158 -1.177 . . . . 0.0 110.158 179.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -62.9 -45.02 94.48 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.5 -48.49 79.1 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . 0.637 ' NH2' ' CZ ' ' C' ' 23' ' ' TYR . 77.7 ttt-85 -60.21 -47.23 86.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.75 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -54.96 -43.93 73.9 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.18 -43.08 99.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.682 179.119 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . 0.616 ' HB1' HD12 ' C' ' 91' ' ' ILE . . . -59.54 -50.16 74.99 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 23' ' ' TYR . . . . . 0.637 ' CZ ' ' NH2' ' C' ' 19' ' ' ARG . 8.0 m-85 -59.51 -42.62 92.63 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.519 179.485 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.71 92.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.731 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.99 -42.64 85.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.658 179.19 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 56.7 tp -61.19 -45.14 95.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.426 178.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -55.92 -42.31 75.89 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -60.93 -41.47 96.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.924 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.55 93.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.819 179.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.57 -29.41 70.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.119 179.095 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -80.29 -4.65 54.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.465 179.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.7 14.17 73.76 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 33' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -97.51 79.9 2.79 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.794 0.331 . . . . 0.0 110.209 179.591 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -65.49 -34.75 79.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.493 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.09 -50.0 72.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.059 0.457 . . . . 0.0 110.68 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.57 81.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.408 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.62 77.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.407 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -59.69 -43.22 94.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.588 -179.57 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.6 -40.58 95.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.714 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 40' ' ' MET . . . . . . . . . . . . . 89.4 mmm -64.94 -41.39 95.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.533 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 41' ' ' MET . . . . . 0.54 ' CE ' ' OG1' ' C' ' 92' ' ' THR . 98.3 mmm -63.25 -40.18 96.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.622 179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 42' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -62.52 -43.91 97.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.876 0.369 . . . . 0.0 110.4 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.63 -40.31 96.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.271 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 44' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' C' ' 41' ' ' MET . 78.1 p -62.0 -45.37 93.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.512 -179.818 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -59.85 -42.85 94.55 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.352 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 46' ' ' MET . . . . . . . . . . . . . 65.4 ttp -60.28 -44.38 95.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.313 0.578 . . . . 0.0 110.577 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.78 99.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.325 179.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 48' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' C' ' 48' ' ' LEU . 92.5 mt -64.42 -40.42 95.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.698 179.268 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 49' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -60.99 -41.57 96.73 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.277 -179.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -64.74 -40.75 95.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.028 179.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.24 80.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.439 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 52' ' ' HIS . . . . . 0.589 ' O ' HG23 ' C' ' 56' ' ' THR . 60.0 t-80 -61.2 -38.89 88.18 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.346 -179.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 53' ' ' LEU . . . . . 0.495 ' O ' ' OG1' ' C' ' 56' ' ' THR . 39.2 mt -60.83 -44.19 97.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.235 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 66.1 t -65.36 -43.22 94.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.045 0.45 . . . . 0.0 109.927 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 55' ' ' GLN . . . . . 0.765 ' NE2' HD11 ' C' ' 59' ' ' ILE . 0.0 OUTLIER -58.88 -45.09 91.03 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.275 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . 0.589 HG23 ' O ' ' C' ' 52' ' ' HIS . 41.3 p -57.88 -39.44 77.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.197 -179.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 57' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -64.26 -40.56 96.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.445 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 58' ' ' LEU . . . . . 0.451 HD22 ' CD2' ' C' ' 4' ' ' LEU . 96.1 mt -63.82 -30.21 71.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.768 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . 0.765 HD11 ' NE2' ' C' ' 55' ' ' GLN . 96.8 mt -78.26 -30.51 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . 0.532 ' OE1' ' O ' ' D' ' 351' ' ' GLN . 79.4 mm-40 -83.92 -13.03 54.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.437 179.61 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.05 -163.37 0.13 Allowed Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -86.85 111.28 20.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.535 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.66 143.19 54.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.477 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.99 144.69 45.36 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 65' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -68.27 131.72 45.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.775 0.321 . . . . 0.0 110.599 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.3 -18.2 56.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.92 140.36 35.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.622 0.249 . . . . 0.0 110.516 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 68' ' ' MET . . . . . . . . . . . . . 98.7 mmm -70.68 -107.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.585 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 69' ' ' LYS . . . . . 0.514 ' HG2' HG13 ' C' ' 70' ' ' VAL . 88.3 tttt -69.63 -95.65 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.514 HG13 ' HG2' ' C' ' 69' ' ' LYS . 20.9 m -87.39 -150.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.71 179.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 71' ' ' SER . . . . . . . . . . . . . 88.2 p -131.5 170.63 14.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.507 -178.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 72' ' ' LEU . . . . . . . . . . . . . 50.2 tp -58.86 -44.12 90.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.653 -177.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 73' ' ' VAL . . . . . 0.508 HG13 HG21 ' C' ' 8' ' ' VAL . 62.7 t -62.54 -44.85 99.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 130.06 3.344 . . . . 0.0 110.633 -178.052 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.58 -39.29 94.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 177.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 75' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.03 -48.0 89.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.193 -179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -58.41 -45.86 87.57 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.344 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.45 98.86 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.864 0.364 . . . . 0.0 110.363 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 78' ' ' GLN . . . . . 0.753 ' NE2' HE21 ' C' ' 55' ' ' GLN . 93.9 mm-40 -61.61 -39.59 91.79 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.316 179.295 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . 0.493 ' O ' HG23 ' C' ' 83' ' ' THR . 41.7 tp -58.38 -46.58 86.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.47 -179.209 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 80' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -67.82 -48.23 66.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.74 -179.842 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.49 -44.99 96.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.808 -179.145 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 87.9 mmm -61.7 -42.94 99.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.334 -179.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 83' ' ' THR . . . . . 0.493 HG23 ' O ' ' C' ' 79' ' ' LEU . 20.4 p -64.61 -46.31 83.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.114 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 84' ' ' SER . . . . . . . . . . . . . 78.7 p -62.24 -49.63 74.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.573 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 85' ' ' MET . . . . . . . . . . . . . 65.3 ttp -57.2 -47.79 80.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.701 0.286 . . . . 0.0 110.468 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.18 -44.68 96.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.411 . . . . 0.0 110.166 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.63 -48.83 78.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.0 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 88' ' ' ARG . . . . . . . . . . . . . 67.2 ttt-85 -58.61 -45.1 89.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.261 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 89' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.61 -44.54 96.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.982 0.42 . . . . 0.0 110.193 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.22 -42.82 96.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.139 0.495 . . . . 0.0 109.992 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 91' ' ' ILE . . . . . 0.616 HD12 ' HB1' ' C' ' 22' ' ' ALA . 75.8 mt -60.12 -41.87 88.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.419 179.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 92' ' ' THR . . . . . 0.54 ' OG1' ' CE ' ' C' ' 41' ' ' MET . 17.3 m -57.43 -45.37 84.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.037 0.446 . . . . 0.0 109.957 179.43 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 93' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -63.6 -43.71 96.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.499 179.278 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 94' ' ' LEU . . . . . 0.571 ' O ' ' ND1' ' C' ' 98' ' ' HIS . 85.5 mt -59.86 -43.66 94.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 95' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.85 -43.39 97.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.541 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.54 -39.76 92.23 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.98 -41.4 97.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.877 179.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 98' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' C' ' 94' ' ' LEU . 65.2 m80 -59.37 -39.04 82.03 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.186 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 99' ' ' GLU . . . . . 0.571 ' O ' ' N ' ' C' ' 103' ' ' ALA . 81.5 tt0 -61.3 -39.9 92.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.106 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 100' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' C' ' 103' ' ' ALA . 61.4 mttp -63.52 -38.83 92.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.16 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 101' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.52 -41.76 96.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.302 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 102' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -92.68 -7.82 45.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.521 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 103' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' C' ' 99' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.391 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.514 179.952 . . . . . . . . 1 1 . 1 stop_ save_